(E)-hexadec-7-ene-1,3-diol

C16H32O2 — CID 134326669

IUPAC(E)-hexadec-7-ene-1,3-diol
SMILESCCCCCCCC/C=C/CCCC(O)CCO
InChIInChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(18)14-15-17/h9-10,16-18H,2-8,11-15H2,1H3/b10-9+
InChIKeyGXMPZVAUKJUXSH-MDZDMXLPSA-N
MW256.43 g/mol
LogP4.21
Rot. Bonds13

About (E)-hexadec-7-ene-1,3-diol

(E)-hexadec-7-ene-1,3-diol (PubChem CID 134326669) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is (E)-hexadec-7-ene-1,3-diol.

Molecular Properties

Compound Name(E)-hexadec-7-ene-1,3-diol
PubChem CID134326669
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name(E)-hexadec-7-ene-1,3-diol
SMILESCCCCCCCC/C=C/CCCC(O)CCO
InChIInChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(18)14-15-17/h9-10,16-18H,2-8,11-15H2,1H3/b10-9+
InChIKeyGXMPZVAUKJUXSH-MDZDMXLPSA-N
XLogP4.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.21
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

(Z)-dodec-6-ene-1,3-diol
CID 10488272
octacos-21-en-10-ol
CID 163011476
(Z)-tetracos-6-en-10-ol
CID 168947717
octadec-4-ene-1,8-diol
CID 123554473
octadec-9-ene-1,2-diol
CID 139720566
(E)-hentetracont-36-en-5-ol
CID 87492179
henicosa-6,15-dien-10-ol
CID 141379717
hexadecane-1,2-diol;(Z)-octadec-9-en-1-ol
CID 86739633
(Z,3R)-1-butoxytetradec-7-en-3-ol
CID 164718486
(E)-heptadec-7-en-5-ol
CID 122442571
(Z)-octadec-10-en-8-ol
CID 173051806
3-octadec-9-enylpentane-1,5-diol
CID 91381537

Frequently Asked Questions

What is the IUPAC name of (E)-hexadec-7-ene-1,3-diol?
The IUPAC name of (E)-hexadec-7-ene-1,3-diol (CID 134326669) is (E)-hexadec-7-ene-1,3-diol.
What is the SMILES notation for (E)-hexadec-7-ene-1,3-diol?
The canonical SMILES for (E)-hexadec-7-ene-1,3-diol is CCCCCCCC/C=C/CCCC(O)CCO.
What is the InChIKey of (E)-hexadec-7-ene-1,3-diol?
The InChIKey is GXMPZVAUKJUXSH-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(18)14-15-17/h9-10,16-18H,2-8,11-15H2,1H3/b10-9+.
What are the key properties of (E)-hexadec-7-ene-1,3-diol?
(E)-hexadec-7-ene-1,3-diol has a molecular weight of 256.43 g/mol, XLogP of 4.21, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hexadec-7-ene-1,3-diol is sourced from PubChem (CID 134326669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).