(2E,6E,10E,14E)-hexadeca-2,6,10,14-tetraen-1-ol

C16H26O — CID 21397771

IUPAC(2E,6E,10E,14E)-hexadeca-2,6,10,14-tetraen-1-ol
SMILESC/C=C/CC/C=C/CC/C=C/CC/C=C/CO
InChIInChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-3,6-7,10-11,14-15,17H,4-5,8-9,12-13,16H2,1H3/b3-2+,7-6+,11-10+,15-14+
InChIKeyFQCPIVQMUJDDQN-OSWCZRQLSA-N
MW234.38 g/mol
LogP4.56
Rot. Bonds10

About (2E,6E,10E,14E)-hexadeca-2,6,10,14-tetraen-1-ol

(2E,6E,10E,14E)-hexadeca-2,6,10,14-tetraen-1-ol (PubChem CID 21397771) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is (2E,6E,10E,14E)-hexadeca-2,6,10,14-tetraen-1-ol.

Molecular Properties

Compound Name(2E,6E,10E,14E)-hexadeca-2,6,10,14-tetraen-1-ol
PubChem CID21397771
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name(2E,6E,10E,14E)-hexadeca-2,6,10,14-tetraen-1-ol
SMILESC/C=C/CC/C=C/CC/C=C/CC/C=C/CO
InChIInChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-3,6-7,10-11,14-15,17H,4-5,8-9,12-13,16H2,1H3/b3-2+,7-6+,11-10+,15-14+
InChIKeyFQCPIVQMUJDDQN-OSWCZRQLSA-N
XLogP4.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.56
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 (2E,6E,10E,14E)-hexadeca-2,6,10,14-tetraen-1-ol?
The IUPAC name of (2E,6E,10E,14E)-hexadeca-2,6,10,14-tetraen-1-ol (CID 21397771) is (2E,6E,10E,14E)-hexadeca-2,6,10,14-tetraen-1-ol.
What is the SMILES notation for (2E,6E,10E,14E)-hexadeca-2,6,10,14-tetraen-1-ol?
The canonical SMILES for (2E,6E,10E,14E)-hexadeca-2,6,10,14-tetraen-1-ol is C/C=C/CC/C=C/CC/C=C/CC/C=C/CO.
What is the InChIKey of (2E,6E,10E,14E)-hexadeca-2,6,10,14-tetraen-1-ol?
The InChIKey is FQCPIVQMUJDDQN-OSWCZRQLSA-N. The full InChI is InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-3,6-7,10-11,14-15,17H,4-5,8-9,12-13,16H2,1H3/b3-2+,7-6+,11-10+,15-14+.
What are the key properties of (2E,6E,10E,14E)-hexadeca-2,6,10,14-tetraen-1-ol?
(2E,6E,10E,14E)-hexadeca-2,6,10,14-tetraen-1-ol has a molecular weight of 234.38 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E,14E)-hexadeca-2,6,10,14-tetraen-1-ol is sourced from PubChem (CID 21397771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).