(7R,9Z,26Z,29R)-7,29-dihydroxypentatriaconta-9,26-dien-18-one

C35H66O3 — CID 166138272

IUPAC(7R,9Z,26Z,29R)-7,29-dihydroxypentatriaconta-9,26-dien-18-one
SMILESCCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)CCCCCCC/C=C\C[C@H](O)CCCCCC
InChIInChI=1S/C35H66O3/c1-3-5-7-21-27-33(36)29-23-17-13-9-11-15-19-25-31-35(38)32-26-20-16-12-10-14-18-24-30-34(37)28-22-8-6-4-2/h17-18,23-24,33-34,36-37H,3-16,19-22,25-32H2,1-2H3/b23-17-,24-18-/t33-,34-/m1/s1
InChIKeyUZSUIYBGQHNOIM-INAQYUPRSA-N
MW534.91 g/mol
LogP10.57
Rot. Bonds30

About (7R,9Z,26Z,29R)-7,29-dihydroxypentatriaconta-9,26-dien-18-one

(7R,9Z,26Z,29R)-7,29-dihydroxypentatriaconta-9,26-dien-18-one (PubChem CID 166138272) has the molecular formula C35H66O3 and a molecular weight of 534.91 g/mol. Its IUPAC name is (7R,9Z,26Z,29R)-7,29-dihydroxypentatriaconta-9,26-dien-18-one.

Molecular Properties

Compound Name(7R,9Z,26Z,29R)-7,29-dihydroxypentatriaconta-9,26-dien-18-one
PubChem CID166138272
Molecular FormulaC35H66O3
Molecular Weight534.91 g/mol
Exact Mass534.50
IUPAC Name(7R,9Z,26Z,29R)-7,29-dihydroxypentatriaconta-9,26-dien-18-one
SMILESCCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)CCCCCCC/C=C\C[C@H](O)CCCCCC
InChIInChI=1S/C35H66O3/c1-3-5-7-21-27-33(36)29-23-17-13-9-11-15-19-25-31-35(38)32-26-20-16-12-10-14-18-24-30-34(37)28-22-8-6-4-2/h17-18,23-24,33-34,36-37H,3-16,19-22,25-32H2,1-2H3/b23-17-,24-18-/t33-,34-/m1/s1
InChIKeyUZSUIYBGQHNOIM-INAQYUPRSA-N
XLogP10.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.91
LogP ≤ 510.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (7R,9Z,26Z,29R)-7,29-dihydroxypentatriaconta-9,26-dien-18-one with MolForge

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Related Compounds

(Z)-12-hydroxyoctadec-9-enoic acid
CID 5282942
12-hydroxyicos-14-enoic acid
CID 169277255
12-hydroxyhenicos-14-enoic acid
CID 169277303
(Z)-7-hydroxyoctadec-9-enoic acid
CID 101326222
(E,10S)-henicos-7-en-10-ol
CID 14607531
(Z)-pentadec-8-en-6-ol
CID 10398809
(Z)-octadec-10-en-8-ol
CID 173051806
(Z,12R)-12-hydroxyoctadec-9-enoic acid;silver
CID 174840171
CID 131874957
CID 131874957
(Z,12R)-12-hydroxy-N-[(Z,12R)-12-hydroxyoctadec-9-enoyl]octadec-9-enamide
CID 87119921
(6Z,9Z,27Z,30Z)-hexatriaconta-6,9,27,30-tetraen-18-ol;(6Z,9Z,27Z,30Z)-hexatriaconta-6,9,27,30-tetraen-18-one
CID 158497587
potassium (12R)-12-hydroxyoctadec-9-enoate
CID 57353383

Frequently Asked Questions

What is the IUPAC name of (7R,9Z,26Z,29R)-7,29-dihydroxypentatriaconta-9,26-dien-18-one?
The IUPAC name of (7R,9Z,26Z,29R)-7,29-dihydroxypentatriaconta-9,26-dien-18-one (CID 166138272) is (7R,9Z,26Z,29R)-7,29-dihydroxypentatriaconta-9,26-dien-18-one.
What is the SMILES notation for (7R,9Z,26Z,29R)-7,29-dihydroxypentatriaconta-9,26-dien-18-one?
The canonical SMILES for (7R,9Z,26Z,29R)-7,29-dihydroxypentatriaconta-9,26-dien-18-one is CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)CCCCCCC/C=C\C[C@H](O)CCCCCC.
What is the InChIKey of (7R,9Z,26Z,29R)-7,29-dihydroxypentatriaconta-9,26-dien-18-one?
The InChIKey is UZSUIYBGQHNOIM-INAQYUPRSA-N. The full InChI is InChI=1S/C35H66O3/c1-3-5-7-21-27-33(36)29-23-17-13-9-11-15-19-25-31-35(38)32-26-20-16-12-10-14-18-24-30-34(37)28-22-8-6-4-2/h17-18,23-24,33-34,36-37H,3-16,19-22,25-32H2,1-2H3/b23-17-,24-18-/t33-,34-/m1/s1.
What are the key properties of (7R,9Z,26Z,29R)-7,29-dihydroxypentatriaconta-9,26-dien-18-one?
(7R,9Z,26Z,29R)-7,29-dihydroxypentatriaconta-9,26-dien-18-one has a molecular weight of 534.91 g/mol, XLogP of 10.57, 30 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,9Z,26Z,29R)-7,29-dihydroxypentatriaconta-9,26-dien-18-one is sourced from PubChem (CID 166138272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).