(6R,7E,9Z,15Z)-icosa-7,9,15-trien-6-ol

C20H36O — CID 59125743

IUPAC(6R,7E,9Z,15Z)-icosa-7,9,15-trien-6-ol
SMILESCCCC/C=C\CCCC/C=C\C=C\[C@H](O)CCCCC
InChIInChI=1S/C20H36O/c1-3-5-7-8-9-10-11-12-13-14-15-17-19-20(21)18-16-6-4-2/h8-9,14-15,17,19-21H,3-7,10-13,16,18H2,1-2H3/b9-8-,15-14-,19-17+/t20-/m1/s1
InChIKeyDVJFPFLVSKAPDU-OEVXOJAJSA-N
MW292.51 g/mol
LogP6.35
Rot. Bonds14

About (6R,7E,9Z,15Z)-icosa-7,9,15-trien-6-ol

(6R,7E,9Z,15Z)-icosa-7,9,15-trien-6-ol (PubChem CID 59125743) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is (6R,7E,9Z,15Z)-icosa-7,9,15-trien-6-ol.

Molecular Properties

Compound Name(6R,7E,9Z,15Z)-icosa-7,9,15-trien-6-ol
PubChem CID59125743
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Name(6R,7E,9Z,15Z)-icosa-7,9,15-trien-6-ol
SMILESCCCC/C=C\CCCC/C=C\C=C\[C@H](O)CCCCC
InChIInChI=1S/C20H36O/c1-3-5-7-8-9-10-11-12-13-14-15-17-19-20(21)18-16-6-4-2/h8-9,14-15,17,19-21H,3-7,10-13,16,18H2,1-2H3/b9-8-,15-14-,19-17+/t20-/m1/s1
InChIKeyDVJFPFLVSKAPDU-OEVXOJAJSA-N
XLogP6.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 56.35
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (6R,7E,9Z,15Z)-icosa-7,9,15-trien-6-ol?
The IUPAC name of (6R,7E,9Z,15Z)-icosa-7,9,15-trien-6-ol (CID 59125743) is (6R,7E,9Z,15Z)-icosa-7,9,15-trien-6-ol.
What is the SMILES notation for (6R,7E,9Z,15Z)-icosa-7,9,15-trien-6-ol?
The canonical SMILES for (6R,7E,9Z,15Z)-icosa-7,9,15-trien-6-ol is CCCC/C=C\CCCC/C=C\C=C\[C@H](O)CCCCC.
What is the InChIKey of (6R,7E,9Z,15Z)-icosa-7,9,15-trien-6-ol?
The InChIKey is DVJFPFLVSKAPDU-OEVXOJAJSA-N. The full InChI is InChI=1S/C20H36O/c1-3-5-7-8-9-10-11-12-13-14-15-17-19-20(21)18-16-6-4-2/h8-9,14-15,17,19-21H,3-7,10-13,16,18H2,1-2H3/b9-8-,15-14-,19-17+/t20-/m1/s1.
What are the key properties of (6R,7E,9Z,15Z)-icosa-7,9,15-trien-6-ol?
(6R,7E,9Z,15Z)-icosa-7,9,15-trien-6-ol has a molecular weight of 292.51 g/mol, XLogP of 6.35, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7E,9Z,15Z)-icosa-7,9,15-trien-6-ol is sourced from PubChem (CID 59125743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).