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heptan-2-ol

PropertiesImage
MNX_IDMNXM115579 Image of MNXM115579
referencechebi:88815
formulaC7H16O
global charge0
mol weight116.204
InChIKeyCETWDUZRCINIHU-UHFFFAOYSA-N
InChIInChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3
SMILESCCCCCC(C)O
MNX internals
InChI (mnx)InChI=1/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3/t7? Image of MNXM115579
SMILES (mnx)[CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH:7]([CH3:2])[OH:8]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:88815
chebi:88815
CETWDUZRCINIHU-UHFFFAOYSA-N 		heptan-2-ol
1-methylhexanol
2-heptanol
2-heptyl alcohol
2-hydroxyheptane
amyl methyl carbinol
methyl amyl carbinol
s-heptyl alcohol
hmdb:HMDB0033908
CETWDUZRCINIHU-UHFFFAOYSA-N 		(+/-)-2-Heptanol
2-heptanol
heptan-2-ol

lipidmaps:LMFA05000615
lipidmapsM:LMFA05000615
CETWDUZRCINIHU-UHFFFAOYSA-N 		2-Heptanol
FOH 7:0
heptan-2-ol

seed.compound:cpd33162
seedM:cpd33162
CETWDUZRCINIHU-UHFFFAOYSA-N 		2-heptanol
2-heptyl alcohol
heptan-2-ol

sabiork.compound:25781
sabiorkM:25781
CETWDUZRCINIHU-UHFFFAOYSA-N 		Heptan-2-ol

metacyc.compound:CPD-18994
metacycM:CPD-18994
CETWDUZRCINIHU-UHFFFAOYSA-N 		heptan-2-ol
2-heptanol
2-heptyl alcohol

hmdb:HMDB33908
seedM:M_cpd33162 		secondary/obsolete/fantasy identifier