octadec-4-ene-1,8-diol

C18H36O2 — CID 123554473

IUPACoctadec-4-ene-1,8-diol
SMILESCCCCCCCCCCC(O)CCC=CCCCO
InChIInChI=1S/C18H36O2/c1-2-3-4-5-6-7-9-12-15-18(20)16-13-10-8-11-14-17-19/h8,10,18-20H,2-7,9,11-17H2,1H3
InChIKeyVARIAPJZRBSDOU-UHFFFAOYSA-N
MW284.48 g/mol
LogP4.99
Rot. Bonds15

About octadec-4-ene-1,8-diol

octadec-4-ene-1,8-diol (PubChem CID 123554473) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is octadec-4-ene-1,8-diol.

Molecular Properties

Compound Nameoctadec-4-ene-1,8-diol
PubChem CID123554473
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Nameoctadec-4-ene-1,8-diol
SMILESCCCCCCCCCCC(O)CCC=CCCCO
InChIInChI=1S/C18H36O2/c1-2-3-4-5-6-7-9-12-15-18(20)16-13-10-8-11-14-17-19/h8,10,18-20H,2-7,9,11-17H2,1H3
InChIKeyVARIAPJZRBSDOU-UHFFFAOYSA-N
XLogP4.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.48
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(Z)-dodec-6-ene-1,3-diol
CID 10488272
hexadecane-1,2-diol;(Z)-octadec-9-en-1-ol
CID 86739633
(E)-hexadec-7-ene-1,3-diol
CID 134326669
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CID 22758044
heptadecane-1,7-diol
CID 130297854
tridecane-1,5-diol
CID 15587437
tetracosane-1,19-diol
CID 175364022
heptadecane-1,11-diol
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docosane-1,11-diol
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Frequently Asked Questions

What is the IUPAC name of octadec-4-ene-1,8-diol?
The IUPAC name of octadec-4-ene-1,8-diol (CID 123554473) is octadec-4-ene-1,8-diol.
What is the SMILES notation for octadec-4-ene-1,8-diol?
The canonical SMILES for octadec-4-ene-1,8-diol is CCCCCCCCCCC(O)CCC=CCCCO.
What is the InChIKey of octadec-4-ene-1,8-diol?
The InChIKey is VARIAPJZRBSDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-2-3-4-5-6-7-9-12-15-18(20)16-13-10-8-11-14-17-19/h8,10,18-20H,2-7,9,11-17H2,1H3.
What are the key properties of octadec-4-ene-1,8-diol?
octadec-4-ene-1,8-diol has a molecular weight of 284.48 g/mol, XLogP of 4.99, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octadec-4-ene-1,8-diol is sourced from PubChem (CID 123554473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).