(20R)-20-hydroxy-22-methyltricos-21-en-2-one

C24H46O2 — CID 163048218

IUPAC(20R)-20-hydroxy-22-methyltricos-21-en-2-one
SMILESCC(=O)CCCCCCCCCCCCCCCCC[C@@H](O)C=C(C)C
InChIInChI=1S/C24H46O2/c1-22(2)21-24(26)20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-23(3)25/h21,24,26H,4-20H2,1-3H3/t24-/m1/s1
InChIKeyVCVPNFYTLOKZAW-XMMPIXPASA-N
MW366.63 g/mol
LogP7.53
Rot. Bonds19

About (20R)-20-hydroxy-22-methyltricos-21-en-2-one

(20R)-20-hydroxy-22-methyltricos-21-en-2-one (PubChem CID 163048218) has the molecular formula C24H46O2 and a molecular weight of 366.63 g/mol. Its IUPAC name is (20R)-20-hydroxy-22-methyltricos-21-en-2-one.

Molecular Properties

Compound Name(20R)-20-hydroxy-22-methyltricos-21-en-2-one
PubChem CID163048218
Molecular FormulaC24H46O2
Molecular Weight366.63 g/mol
Exact Mass366.35
IUPAC Name(20R)-20-hydroxy-22-methyltricos-21-en-2-one
SMILESCC(=O)CCCCCCCCCCCCCCCCC[C@@H](O)C=C(C)C
InChIInChI=1S/C24H46O2/c1-22(2)21-24(26)20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-23(3)25/h21,24,26H,4-20H2,1-3H3/t24-/m1/s1
InChIKeyVCVPNFYTLOKZAW-XMMPIXPASA-N
XLogP7.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 57.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9(S)-Hode
CID 5312830
(9Z,11E,13S)-13-Hydroxyoctadeca-9,11-Dienoic Acid
CID 6443013
Pgb1
CID 5280388
9-hydroxy-10E,12Z-octadecadienoic acid
CID 5282944
13-Hode
CID 5282947
15S-HETrE
CID 5283145
8S-HETrE
CID 5283148
9R-Hode
CID 16061059
Beta-dimorphecolic acid, (+-)-
CID 5282945
13R-Hode
CID 13723970
13-Hydroxy-9,11-Octadecadienoic Acid
CID 5282948
11-Hydroxy-9-tridecenoic acid
CID 5318367

Frequently Asked Questions

What is the IUPAC name of (20R)-20-hydroxy-22-methyltricos-21-en-2-one?
The IUPAC name of (20R)-20-hydroxy-22-methyltricos-21-en-2-one (CID 163048218) is (20R)-20-hydroxy-22-methyltricos-21-en-2-one.
What is the SMILES notation for (20R)-20-hydroxy-22-methyltricos-21-en-2-one?
The canonical SMILES for (20R)-20-hydroxy-22-methyltricos-21-en-2-one is CC(=O)CCCCCCCCCCCCCCCCC[C@@H](O)C=C(C)C.
What is the InChIKey of (20R)-20-hydroxy-22-methyltricos-21-en-2-one?
The InChIKey is VCVPNFYTLOKZAW-XMMPIXPASA-N. The full InChI is InChI=1S/C24H46O2/c1-22(2)21-24(26)20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-23(3)25/h21,24,26H,4-20H2,1-3H3/t24-/m1/s1.
What are the key properties of (20R)-20-hydroxy-22-methyltricos-21-en-2-one?
(20R)-20-hydroxy-22-methyltricos-21-en-2-one has a molecular weight of 366.63 g/mol, XLogP of 7.53, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (20R)-20-hydroxy-22-methyltricos-21-en-2-one is sourced from PubChem (CID 163048218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).