octadecane-2,14-diol

C18H38O2 — CID 170722506

IUPACoctadecane-2,14-diol
SMILESCCCCC(O)CCCCCCCCCCCC(C)O
InChIInChI=1S/C18H38O2/c1-3-4-15-18(20)16-13-11-9-7-5-6-8-10-12-14-17(2)19/h17-20H,3-16H2,1-2H3
InChIKeyCYZNVYKZHMIITA-UHFFFAOYSA-N
MW286.50 g/mol
LogP5.21
Rot. Bonds15

About octadecane-2,14-diol

octadecane-2,14-diol (PubChem CID 170722506) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is octadecane-2,14-diol.

Molecular Properties

Compound Nameoctadecane-2,14-diol
PubChem CID170722506
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Nameoctadecane-2,14-diol
SMILESCCCCC(O)CCCCCCCCCCCC(C)O
InChIInChI=1S/C18H38O2/c1-3-4-15-18(20)16-13-11-9-7-5-6-8-10-12-14-17(2)19/h17-20H,3-16H2,1-2H3
InChIKeyCYZNVYKZHMIITA-UHFFFAOYSA-N
XLogP5.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 55.21
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

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Frequently Asked Questions

What is the IUPAC name of octadecane-2,14-diol?
The IUPAC name of octadecane-2,14-diol (CID 170722506) is octadecane-2,14-diol.
What is the SMILES notation for octadecane-2,14-diol?
The canonical SMILES for octadecane-2,14-diol is CCCCC(O)CCCCCCCCCCCC(C)O.
What is the InChIKey of octadecane-2,14-diol?
The InChIKey is CYZNVYKZHMIITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2/c1-3-4-15-18(20)16-13-11-9-7-5-6-8-10-12-14-17(2)19/h17-20H,3-16H2,1-2H3.
What are the key properties of octadecane-2,14-diol?
octadecane-2,14-diol has a molecular weight of 286.50 g/mol, XLogP of 5.21, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octadecane-2,14-diol is sourced from PubChem (CID 170722506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).