octadec-9-ene-1,2-diol

C18H36O2 — CID 139720566

IUPACoctadec-9-ene-1,2-diol
SMILESCCCCCCCCC=CCCCCCCC(O)CO
InChIInChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19/h9-10,18-20H,2-8,11-17H2,1H3
InChIKeyIIXLLYQHXIHDPB-UHFFFAOYSA-N
MW284.48 g/mol
LogP4.99
Rot. Bonds15

About octadec-9-ene-1,2-diol

octadec-9-ene-1,2-diol (PubChem CID 139720566) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is octadec-9-ene-1,2-diol.

Molecular Properties

Compound Nameoctadec-9-ene-1,2-diol
PubChem CID139720566
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Nameoctadec-9-ene-1,2-diol
SMILESCCCCCCCCC=CCCCCCCC(O)CO
InChIInChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19/h9-10,18-20H,2-8,11-17H2,1H3
InChIKeyIIXLLYQHXIHDPB-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

hexadecane-1,2-diol;(Z)-octadec-9-en-1-ol
CID 86739633
(E)-nonadec-5-ene-1,2-diol
CID 142781627
octacos-21-en-10-ol
CID 163011476
(2R)-octane-1,2-diol
CID 6994435
(2R)-decane-1,2-diol
CID 10888425
triacontane-1,2-diol
CID 19770548
octane-1,2-diol
CID 159791136
(2R)-nonadecane-1,2-diol
CID 124511707
tricosane-1,2-diol
CID 42607324
(Z)-20,21-dihydroxyhenicos-9-enoic acid;(Z)-octadec-9-enoic acid
CID 158902601
(Z)-tetracos-6-en-10-ol
CID 168947717
CID 158891282
CID 158891282

Frequently Asked Questions

What is the IUPAC name of octadec-9-ene-1,2-diol?
The IUPAC name of octadec-9-ene-1,2-diol (CID 139720566) is octadec-9-ene-1,2-diol.
What is the SMILES notation for octadec-9-ene-1,2-diol?
The canonical SMILES for octadec-9-ene-1,2-diol is CCCCCCCCC=CCCCCCCC(O)CO.
What is the InChIKey of octadec-9-ene-1,2-diol?
The InChIKey is IIXLLYQHXIHDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19/h9-10,18-20H,2-8,11-17H2,1H3.
What are the key properties of octadec-9-ene-1,2-diol?
octadec-9-ene-1,2-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-9-ene-1,2-diol is sourced from PubChem (CID 139720566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).