heptadecane-1,11-diol

C17H36O2 — CID 130297922

IUPACheptadecane-1,11-diol
SMILESCCCCCCC(O)CCCCCCCCCCO
InChIInChI=1S/C17H36O2/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18/h17-19H,2-16H2,1H3
InChIKeyHLTUWORPOKVDQL-UHFFFAOYSA-N
MW272.47 g/mol
LogP4.82
Rot. Bonds15

About heptadecane-1,11-diol

heptadecane-1,11-diol (PubChem CID 130297922) has the molecular formula C17H36O2 and a molecular weight of 272.47 g/mol. Its IUPAC name is heptadecane-1,11-diol.

Molecular Properties

Compound Nameheptadecane-1,11-diol
PubChem CID130297922
Molecular FormulaC17H36O2
Molecular Weight272.47 g/mol
Exact Mass272.27
IUPAC Nameheptadecane-1,11-diol
SMILESCCCCCCC(O)CCCCCCCCCCO
InChIInChI=1S/C17H36O2/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18/h17-19H,2-16H2,1H3
InChIKeyHLTUWORPOKVDQL-UHFFFAOYSA-N
XLogP4.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.47
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

heptadecane-1,7-diol
CID 130297854
tridecane-1,5-diol
CID 15587437
icosane-1,9-diol
CID 22758044
docosane-1,11-diol
CID 54487610
tetracosane-1,19-diol
CID 175364022
icosane-1,11-diol
CID 56976881
(9R)-octadecane-1,9-diol
CID 10968142
(4S)-undecane-1,4-diol
CID 98092447
decane-1,10-diol;nonane-1,2-diol
CID 174889231
tetradecane-1,11-diol
CID 11390599
ethanol;nonacosan-10-ol
CID 87536381
tetratetracontan-22-ol
CID 91434437

Frequently Asked Questions

What is the IUPAC name of heptadecane-1,11-diol?
The IUPAC name of heptadecane-1,11-diol (CID 130297922) is heptadecane-1,11-diol.
What is the SMILES notation for heptadecane-1,11-diol?
The canonical SMILES for heptadecane-1,11-diol is CCCCCCC(O)CCCCCCCCCCO.
What is the InChIKey of heptadecane-1,11-diol?
The InChIKey is HLTUWORPOKVDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18/h17-19H,2-16H2,1H3.
What are the key properties of heptadecane-1,11-diol?
heptadecane-1,11-diol has a molecular weight of 272.47 g/mol, XLogP of 4.82, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecane-1,11-diol is sourced from PubChem (CID 130297922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).