(3Z,6Z,9Z,26Z,29Z,32Z)-pentatriaconta-3,6,9,26,29,32-hexaen-18-ol

C35H60O — CID 121330977

IUPAC(3Z,6Z,9Z,26Z,29Z,32Z)-pentatriaconta-3,6,9,26,29,32-hexaen-18-ol
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(O)CCCCCCC/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C35H60O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(36)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,35-36H,3-4,9-10,15-16,21-34H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-
InChIKeyUJDMWLUUVCOZSV-YTWBPVBXSA-N
MW496.86 g/mol
LogP11.53
Rot. Bonds26

About (3Z,6Z,9Z,26Z,29Z,32Z)-pentatriaconta-3,6,9,26,29,32-hexaen-18-ol

(3Z,6Z,9Z,26Z,29Z,32Z)-pentatriaconta-3,6,9,26,29,32-hexaen-18-ol (PubChem CID 121330977) has the molecular formula C35H60O and a molecular weight of 496.86 g/mol. Its IUPAC name is (3Z,6Z,9Z,26Z,29Z,32Z)-pentatriaconta-3,6,9,26,29,32-hexaen-18-ol.

Molecular Properties

Compound Name(3Z,6Z,9Z,26Z,29Z,32Z)-pentatriaconta-3,6,9,26,29,32-hexaen-18-ol
PubChem CID121330977
Molecular FormulaC35H60O
Molecular Weight496.86 g/mol
Exact Mass496.46
IUPAC Name(3Z,6Z,9Z,26Z,29Z,32Z)-pentatriaconta-3,6,9,26,29,32-hexaen-18-ol
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(O)CCCCCCC/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C35H60O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(36)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,35-36H,3-4,9-10,15-16,21-34H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-
InChIKeyUJDMWLUUVCOZSV-YTWBPVBXSA-N
XLogP11.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.86
LogP ≤ 511.53
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'}

Analyze (3Z,6Z,9Z,26Z,29Z,32Z)-pentatriaconta-3,6,9,26,29,32-hexaen-18-ol with MolForge

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(6Z,9Z,27Z,30Z)-hexatriaconta-6,9,27,30-tetraen-18-ol;(6Z,9Z,27Z,30Z)-hexatriaconta-6,9,27,30-tetraen-18-one
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Frequently Asked Questions

What is the IUPAC name of (3Z,6Z,9Z,26Z,29Z,32Z)-pentatriaconta-3,6,9,26,29,32-hexaen-18-ol?
The IUPAC name of (3Z,6Z,9Z,26Z,29Z,32Z)-pentatriaconta-3,6,9,26,29,32-hexaen-18-ol (CID 121330977) is (3Z,6Z,9Z,26Z,29Z,32Z)-pentatriaconta-3,6,9,26,29,32-hexaen-18-ol.
What is the SMILES notation for (3Z,6Z,9Z,26Z,29Z,32Z)-pentatriaconta-3,6,9,26,29,32-hexaen-18-ol?
The canonical SMILES for (3Z,6Z,9Z,26Z,29Z,32Z)-pentatriaconta-3,6,9,26,29,32-hexaen-18-ol is CC/C=C\C/C=C\C/C=C\CCCCCCCC(O)CCCCCCC/C=C\C/C=C\C/C=C\CC.
What is the InChIKey of (3Z,6Z,9Z,26Z,29Z,32Z)-pentatriaconta-3,6,9,26,29,32-hexaen-18-ol?
The InChIKey is UJDMWLUUVCOZSV-YTWBPVBXSA-N. The full InChI is InChI=1S/C35H60O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(36)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,35-36H,3-4,9-10,15-16,21-34H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-.
What are the key properties of (3Z,6Z,9Z,26Z,29Z,32Z)-pentatriaconta-3,6,9,26,29,32-hexaen-18-ol?
(3Z,6Z,9Z,26Z,29Z,32Z)-pentatriaconta-3,6,9,26,29,32-hexaen-18-ol has a molecular weight of 496.86 g/mol, XLogP of 11.53, 26 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z,9Z,26Z,29Z,32Z)-pentatriaconta-3,6,9,26,29,32-hexaen-18-ol is sourced from PubChem (CID 121330977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).