(E)-octadec-6-ene-1,8-diol

C18H36O2 — CID 10265918

IUPAC(E)-octadec-6-ene-1,8-diol
SMILESCCCCCCCCCCC(O)/C=C/CCCCCO
InChIInChI=1S/C18H36O2/c1-2-3-4-5-6-7-9-12-15-18(20)16-13-10-8-11-14-17-19/h13,16,18-20H,2-12,14-15,17H2,1H3/b16-13+
InChIKeyHWECWVNNXTYCMM-DTQAZKPQSA-N
MW284.48 g/mol
LogP4.99
Rot. Bonds15

About (E)-octadec-6-ene-1,8-diol

(E)-octadec-6-ene-1,8-diol (PubChem CID 10265918) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is (E)-octadec-6-ene-1,8-diol.

Molecular Properties

Compound Name(E)-octadec-6-ene-1,8-diol
PubChem CID10265918
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name(E)-octadec-6-ene-1,8-diol
SMILESCCCCCCCCCCC(O)/C=C/CCCCCO
InChIInChI=1S/C18H36O2/c1-2-3-4-5-6-7-9-12-15-18(20)16-13-10-8-11-14-17-19/h13,16,18-20H,2-12,14-15,17H2,1H3/b16-13+
InChIKeyHWECWVNNXTYCMM-DTQAZKPQSA-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

octacos-10-ene-1,12-diol
CID 86172609
(16R)-icosa-5,14-diene-1,16-diol
CID 91200816
henicos-7-en-6-ol
CID 91409967
icosa-7,15-diene-6,9-diol
CID 57175111
(5Z,8Z,11Z,14Z,16R)-icosa-5,8,11,14-tetraene-1,16-diol
CID 59098331
undec-5-en-4-ol
CID 73071371
(Z,16R)-16-hydroxyhenicos-14-enoic acid
CID 11439238
(E,13R)-13-hydroxyoctadec-11-enoic acid
CID 56935869
(E,12R)-12-hydroxyheptadec-10-enoic acid
CID 129382398
(E,2S)-dec-3-ene-1,2-diol
CID 101192698
(Z)-11-hydroxyoctadec-9-enoate
CID 171037416
(4E,12E)-14-hydroxyicosa-4,12-dienoic acid
CID 102068269

Frequently Asked Questions

What is the IUPAC name of (E)-octadec-6-ene-1,8-diol?
The IUPAC name of (E)-octadec-6-ene-1,8-diol (CID 10265918) is (E)-octadec-6-ene-1,8-diol.
What is the SMILES notation for (E)-octadec-6-ene-1,8-diol?
The canonical SMILES for (E)-octadec-6-ene-1,8-diol is CCCCCCCCCCC(O)/C=C/CCCCCO.
What is the InChIKey of (E)-octadec-6-ene-1,8-diol?
The InChIKey is HWECWVNNXTYCMM-DTQAZKPQSA-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/h13,16,18-20H,2-12,14-15,17H2,1H3/b16-13+.
What are the key properties of (E)-octadec-6-ene-1,8-diol?
(E)-octadec-6-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 (E)-octadec-6-ene-1,8-diol is sourced from PubChem (CID 10265918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).