3-[(3S)-3-tert-butyl-8-dimethylsilyloxyoct-1-enyl]-2-(hydroxymethyl)cyclopentan-1-one

C20H38O3Si — CID 173448600

IUPAC3-[(3S)-3-tert-butyl-8-dimethylsilyloxyoct-1-enyl]-2-(hydroxymethyl)cyclopentan-1-one
SMILESC[SiH](C)OCCCCCC(C=CC1CCC(=O)C1CO)C(C)(C)C
InChIInChI=1S/C20H38O3Si/c1-20(2,3)17(9-7-6-8-14-23-24(4)5)12-10-16-11-13-19(22)18(16)15-21/h10,12,16-18,21,24H,6-9,11,13-15H2,1-5H3
InChIKeyPXQAHWHOZUIRSX-UHFFFAOYSA-N
MW354.61 g/mol
LogP4.35
Rot. Bonds10

About 3-[(3S)-3-tert-butyl-8-dimethylsilyloxyoct-1-enyl]-2-(hydroxymethyl)cyclopentan-1-one

3-[(3S)-3-tert-butyl-8-dimethylsilyloxyoct-1-enyl]-2-(hydroxymethyl)cyclopentan-1-one (PubChem CID 173448600) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is 3-[(3S)-3-tert-butyl-8-dimethylsilyloxyoct-1-enyl]-2-(hydroxymethyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-[(3S)-3-tert-butyl-8-dimethylsilyloxyoct-1-enyl]-2-(hydroxymethyl)cyclopentan-1-one
PubChem CID173448600
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Name3-[(3S)-3-tert-butyl-8-dimethylsilyloxyoct-1-enyl]-2-(hydroxymethyl)cyclopentan-1-one
SMILESC[SiH](C)OCCCCCC(C=CC1CCC(=O)C1CO)C(C)(C)C
InChIInChI=1S/C20H38O3Si/c1-20(2,3)17(9-7-6-8-14-23-24(4)5)12-10-16-11-13-19(22)18(16)15-21/h10,12,16-18,21,24H,6-9,11,13-15H2,1-5H3
InChIKeyPXQAHWHOZUIRSX-UHFFFAOYSA-N
XLogP4.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.61
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(3S)-3-tert-butyl-8-dimethylsilyloxyoct-1-enyl]-2-(hydroxymethyl)cyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-tert-butyl-8-dimethylsilyloxyoct-1-enyl]-2-(hydroxymethyl)cyclopentan-1-one?
The IUPAC name of 3-[(3S)-3-tert-butyl-8-dimethylsilyloxyoct-1-enyl]-2-(hydroxymethyl)cyclopentan-1-one (CID 173448600) is 3-[(3S)-3-tert-butyl-8-dimethylsilyloxyoct-1-enyl]-2-(hydroxymethyl)cyclopentan-1-one.
What is the SMILES notation for 3-[(3S)-3-tert-butyl-8-dimethylsilyloxyoct-1-enyl]-2-(hydroxymethyl)cyclopentan-1-one?
The canonical SMILES for 3-[(3S)-3-tert-butyl-8-dimethylsilyloxyoct-1-enyl]-2-(hydroxymethyl)cyclopentan-1-one is C[SiH](C)OCCCCCC(C=CC1CCC(=O)C1CO)C(C)(C)C.
What is the InChIKey of 3-[(3S)-3-tert-butyl-8-dimethylsilyloxyoct-1-enyl]-2-(hydroxymethyl)cyclopentan-1-one?
The InChIKey is PXQAHWHOZUIRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-20(2,3)17(9-7-6-8-14-23-24(4)5)12-10-16-11-13-19(22)18(16)15-21/h10,12,16-18,21,24H,6-9,11,13-15H2,1-5H3.
What are the key properties of 3-[(3S)-3-tert-butyl-8-dimethylsilyloxyoct-1-enyl]-2-(hydroxymethyl)cyclopentan-1-one?
3-[(3S)-3-tert-butyl-8-dimethylsilyloxyoct-1-enyl]-2-(hydroxymethyl)cyclopentan-1-one has a molecular weight of 354.61 g/mol, XLogP of 4.35, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-tert-butyl-8-dimethylsilyloxyoct-1-enyl]-2-(hydroxymethyl)cyclopentan-1-one is sourced from PubChem (CID 173448600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).