20-hydroxy-3,18-dimethylcycloicos-10-en-1-one

C22H40O2 — CID 67314307

IUPAC20-hydroxy-3,18-dimethylcycloicos-10-en-1-one
SMILESCC1CCCCCCC=CCCCCCCC(C)CC(O)C(=O)C1
InChIInChI=1S/C22H40O2/c1-19-15-13-11-9-7-5-3-4-6-8-10-12-14-16-20(2)18-22(24)21(23)17-19/h3-4,19-21,23H,5-18H2,1-2H3
InChIKeyLOZQEXNZEZELAZ-UHFFFAOYSA-N
MW336.56 g/mol
LogP6.22
Rot. Bonds

About 20-hydroxy-3,18-dimethylcycloicos-10-en-1-one

20-hydroxy-3,18-dimethylcycloicos-10-en-1-one (PubChem CID 67314307) has the molecular formula C22H40O2 and a molecular weight of 336.56 g/mol. Its IUPAC name is 20-hydroxy-3,18-dimethylcycloicos-10-en-1-one.

Molecular Properties

Compound Name20-hydroxy-3,18-dimethylcycloicos-10-en-1-one
PubChem CID67314307
Molecular FormulaC22H40O2
Molecular Weight336.56 g/mol
Exact Mass336.30
IUPAC Name20-hydroxy-3,18-dimethylcycloicos-10-en-1-one
SMILESCC1CCCCCCC=CCCCCCCC(C)CC(O)C(=O)C1
InChIInChI=1S/C22H40O2/c1-19-15-13-11-9-7-5-3-4-6-8-10-12-14-16-20(2)18-22(24)21(23)17-19/h3-4,19-21,23H,5-18H2,1-2H3
InChIKeyLOZQEXNZEZELAZ-UHFFFAOYSA-N
XLogP6.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 20-hydroxy-3,18-dimethylcycloicos-10-en-1-one?
The IUPAC name of 20-hydroxy-3,18-dimethylcycloicos-10-en-1-one (CID 67314307) is 20-hydroxy-3,18-dimethylcycloicos-10-en-1-one.
What is the SMILES notation for 20-hydroxy-3,18-dimethylcycloicos-10-en-1-one?
The canonical SMILES for 20-hydroxy-3,18-dimethylcycloicos-10-en-1-one is CC1CCCCCCC=CCCCCCCC(C)CC(O)C(=O)C1.
What is the InChIKey of 20-hydroxy-3,18-dimethylcycloicos-10-en-1-one?
The InChIKey is LOZQEXNZEZELAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O2/c1-19-15-13-11-9-7-5-3-4-6-8-10-12-14-16-20(2)18-22(24)21(23)17-19/h3-4,19-21,23H,5-18H2,1-2H3.
What are the key properties of 20-hydroxy-3,18-dimethylcycloicos-10-en-1-one?
20-hydroxy-3,18-dimethylcycloicos-10-en-1-one has a molecular weight of 336.56 g/mol, XLogP of 6.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 20-hydroxy-3,18-dimethylcycloicos-10-en-1-one is sourced from PubChem (CID 67314307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).