2-hexadec-7-enylicos-11-en-1-ol

C36H70O — CID 3034959

IUPAC2-hexadec-7-enylicos-11-en-1-ol
SMILESCCCCCCCCC=CCCCCCCCCC(CO)CCCCCCC=CCCCCCCCC
InChIInChI=1S/C36H70O/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36(35-37)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17-19,21,36-37H,3-16,20,22-35H2,1-2H3
InChIKeyGMCHTHCFTJIVRD-UHFFFAOYSA-N
MW518.96 g/mol
LogP12.67
Rot. Bonds31

About 2-hexadec-7-enylicos-11-en-1-ol

2-hexadec-7-enylicos-11-en-1-ol (PubChem CID 3034959) has the molecular formula C36H70O and a molecular weight of 518.96 g/mol. Its IUPAC name is 2-hexadec-7-enylicos-11-en-1-ol.

Molecular Properties

Compound Name2-hexadec-7-enylicos-11-en-1-ol
PubChem CID3034959
Molecular FormulaC36H70O
Molecular Weight518.96 g/mol
Exact Mass518.54
IUPAC Name2-hexadec-7-enylicos-11-en-1-ol
SMILESCCCCCCCCC=CCCCCCCCCC(CO)CCCCCCC=CCCCCCCCC
InChIInChI=1S/C36H70O/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36(35-37)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17-19,21,36-37H,3-16,20,22-35H2,1-2H3
InChIKeyGMCHTHCFTJIVRD-UHFFFAOYSA-N
XLogP12.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds31
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.96
LogP ≤ 512.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hexadec-7-enylicos-11-en-1-ol?
The IUPAC name of 2-hexadec-7-enylicos-11-en-1-ol (CID 3034959) is 2-hexadec-7-enylicos-11-en-1-ol.
What is the SMILES notation for 2-hexadec-7-enylicos-11-en-1-ol?
The canonical SMILES for 2-hexadec-7-enylicos-11-en-1-ol is CCCCCCCCC=CCCCCCCCCC(CO)CCCCCCC=CCCCCCCCC.
What is the InChIKey of 2-hexadec-7-enylicos-11-en-1-ol?
The InChIKey is GMCHTHCFTJIVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H70O/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36(35-37)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17-19,21,36-37H,3-16,20,22-35H2,1-2H3.
What are the key properties of 2-hexadec-7-enylicos-11-en-1-ol?
2-hexadec-7-enylicos-11-en-1-ol has a molecular weight of 518.96 g/mol, XLogP of 12.67, 31 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadec-7-enylicos-11-en-1-ol is sourced from PubChem (CID 3034959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).