hexadeca-4,6,10-trien-1-ol

C16H28O — CID 71332565

IUPAChexadeca-4,6,10-trien-1-ol
SMILESCCCCCC=CCCC=CC=CCCCO
InChIInChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h6-7,10-13,17H,2-5,8-9,14-16H2,1H3
InChIKeyAHUWGXXXQILFPZ-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.79
Rot. Bonds11

About hexadeca-4,6,10-trien-1-ol

hexadeca-4,6,10-trien-1-ol (PubChem CID 71332565) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is hexadeca-4,6,10-trien-1-ol.

Molecular Properties

Compound Namehexadeca-4,6,10-trien-1-ol
PubChem CID71332565
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Namehexadeca-4,6,10-trien-1-ol
SMILESCCCCCC=CCCC=CC=CCCCO
InChIInChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h6-7,10-13,17H,2-5,8-9,14-16H2,1H3
InChIKeyAHUWGXXXQILFPZ-UHFFFAOYSA-N
XLogP4.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.79
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hexadeca-4,6,10-trien-1-ol?
The IUPAC name of hexadeca-4,6,10-trien-1-ol (CID 71332565) is hexadeca-4,6,10-trien-1-ol.
What is the SMILES notation for hexadeca-4,6,10-trien-1-ol?
The canonical SMILES for hexadeca-4,6,10-trien-1-ol is CCCCCC=CCCC=CC=CCCCO.
What is the InChIKey of hexadeca-4,6,10-trien-1-ol?
The InChIKey is AHUWGXXXQILFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h6-7,10-13,17H,2-5,8-9,14-16H2,1H3.
What are the key properties of hexadeca-4,6,10-trien-1-ol?
hexadeca-4,6,10-trien-1-ol has a molecular weight of 236.40 g/mol, XLogP of 4.79, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexadeca-4,6,10-trien-1-ol is sourced from PubChem (CID 71332565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).