(6Z,9Z)-henicosa-6,9-dien-11-ol

C21H40O — CID 15340904

IUPAC(6Z,9Z)-henicosa-6,9-dien-11-ol
SMILESCCCCC/C=C\C/C=C\C(O)CCCCCCCCCC
InChIInChI=1S/C21H40O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22H,3-10,12,14-16,18,20H2,1-2H3/b13-11-,19-17-
InChIKeyDMDZJDJIGNDJQK-OHNCOSGTSA-N
MW308.55 g/mol
LogP6.96
Rot. Bonds16

About (6Z,9Z)-henicosa-6,9-dien-11-ol

(6Z,9Z)-henicosa-6,9-dien-11-ol (PubChem CID 15340904) has the molecular formula C21H40O and a molecular weight of 308.55 g/mol. Its IUPAC name is (6Z,9Z)-henicosa-6,9-dien-11-ol.

Molecular Properties

Compound Name(6Z,9Z)-henicosa-6,9-dien-11-ol
PubChem CID15340904
Molecular FormulaC21H40O
Molecular Weight308.55 g/mol
Exact Mass308.31
IUPAC Name(6Z,9Z)-henicosa-6,9-dien-11-ol
SMILESCCCCC/C=C\C/C=C\C(O)CCCCCCCCCC
InChIInChI=1S/C21H40O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22H,3-10,12,14-16,18,20H2,1-2H3/b13-11-,19-17-
InChIKeyDMDZJDJIGNDJQK-OHNCOSGTSA-N
XLogP6.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 56.96
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 (6Z,9Z)-henicosa-6,9-dien-11-ol?
The IUPAC name of (6Z,9Z)-henicosa-6,9-dien-11-ol (CID 15340904) is (6Z,9Z)-henicosa-6,9-dien-11-ol.
What is the SMILES notation for (6Z,9Z)-henicosa-6,9-dien-11-ol?
The canonical SMILES for (6Z,9Z)-henicosa-6,9-dien-11-ol is CCCCC/C=C\C/C=C\C(O)CCCCCCCCCC.
What is the InChIKey of (6Z,9Z)-henicosa-6,9-dien-11-ol?
The InChIKey is DMDZJDJIGNDJQK-OHNCOSGTSA-N. The full InChI is InChI=1S/C21H40O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22H,3-10,12,14-16,18,20H2,1-2H3/b13-11-,19-17-.
What are the key properties of (6Z,9Z)-henicosa-6,9-dien-11-ol?
(6Z,9Z)-henicosa-6,9-dien-11-ol has a molecular weight of 308.55 g/mol, XLogP of 6.96, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9Z)-henicosa-6,9-dien-11-ol is sourced from PubChem (CID 15340904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).