22-hydroxycyclodocos-10-en-1-one

C22H40O2 — CID 91531502

IUPAC22-hydroxycyclodocos-10-en-1-one
SMILESO=C1CCCCCCCCC=CCCCCCCCCCCC1O
InChIInChI=1S/C22H40O2/c23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(21)24/h1,3,22,24H,2,4-20H2
InChIKeyHABKECYMNMZILQ-UHFFFAOYSA-N
MW336.56 g/mol
LogP6.51
Rot. Bonds

About 22-hydroxycyclodocos-10-en-1-one

22-hydroxycyclodocos-10-en-1-one (PubChem CID 91531502) has the molecular formula C22H40O2 and a molecular weight of 336.56 g/mol. Its IUPAC name is 22-hydroxycyclodocos-10-en-1-one.

Molecular Properties

Compound Name22-hydroxycyclodocos-10-en-1-one
PubChem CID91531502
Molecular FormulaC22H40O2
Molecular Weight336.56 g/mol
Exact Mass336.30
IUPAC Name22-hydroxycyclodocos-10-en-1-one
SMILESO=C1CCCCCCCCC=CCCCCCCCCCCC1O
InChIInChI=1S/C22H40O2/c23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(21)24/h1,3,22,24H,2,4-20H2
InChIKeyHABKECYMNMZILQ-UHFFFAOYSA-N
XLogP6.51
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 ≤ 56.51
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 22-hydroxycyclodocos-10-en-1-one?
The IUPAC name of 22-hydroxycyclodocos-10-en-1-one (CID 91531502) is 22-hydroxycyclodocos-10-en-1-one.
What is the SMILES notation for 22-hydroxycyclodocos-10-en-1-one?
The canonical SMILES for 22-hydroxycyclodocos-10-en-1-one is O=C1CCCCCCCCC=CCCCCCCCCCCC1O.
What is the InChIKey of 22-hydroxycyclodocos-10-en-1-one?
The InChIKey is HABKECYMNMZILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O2/c23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(21)24/h1,3,22,24H,2,4-20H2.
What are the key properties of 22-hydroxycyclodocos-10-en-1-one?
22-hydroxycyclodocos-10-en-1-one has a molecular weight of 336.56 g/mol, XLogP of 6.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 22-hydroxycyclodocos-10-en-1-one is sourced from PubChem (CID 91531502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).