hexadec-1-en-3-ol

C16H32O — CID 11064533

IUPAChexadec-1-en-3-ol
SMILESC=CC(O)CCCCCCCCCCCCC
InChIInChI=1S/C16H32O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)4-2/h4,16-17H,2-3,5-15H2,1H3
InChIKeyZCTCPJHTUFYTOR-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.23
Rot. Bonds13

About hexadec-1-en-3-ol

hexadec-1-en-3-ol (PubChem CID 11064533) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is hexadec-1-en-3-ol.

Molecular Properties

Compound Namehexadec-1-en-3-ol
PubChem CID11064533
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Namehexadec-1-en-3-ol
SMILESC=CC(O)CCCCCCCCCCCCC
InChIInChI=1S/C16H32O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)4-2/h4,16-17H,2-3,5-15H2,1H3
InChIKeyZCTCPJHTUFYTOR-UHFFFAOYSA-N
XLogP5.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.23
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 hexadec-1-en-3-ol?
The IUPAC name of hexadec-1-en-3-ol (CID 11064533) is hexadec-1-en-3-ol.
What is the SMILES notation for hexadec-1-en-3-ol?
The canonical SMILES for hexadec-1-en-3-ol is C=CC(O)CCCCCCCCCCCCC.
What is the InChIKey of hexadec-1-en-3-ol?
The InChIKey is ZCTCPJHTUFYTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)4-2/h4,16-17H,2-3,5-15H2,1H3.
What are the key properties of hexadec-1-en-3-ol?
hexadec-1-en-3-ol has a molecular weight of 240.43 g/mol, XLogP of 5.23, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexadec-1-en-3-ol is sourced from PubChem (CID 11064533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).