5-(2-methylidenecyclopentyl)-4-(1-trimethylsilyloxybut-3-enyl)oxolan-2-one

C17H28O3Si — CID 142668020

IUPAC5-(2-methylidenecyclopentyl)-4-(1-trimethylsilyloxybut-3-enyl)oxolan-2-one
SMILESC=CCC(O[Si](C)(C)C)C1CC(=O)OC1C1CCCC1=C
InChIInChI=1S/C17H28O3Si/c1-6-8-15(20-21(3,4)5)14-11-16(18)19-17(14)13-10-7-9-12(13)2/h6,13-15,17H,1-2,7-11H2,3-5H3
InChIKeyGMJFVHBZRHGCHV-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.07
Rot. Bonds6

About 5-(2-methylidenecyclopentyl)-4-(1-trimethylsilyloxybut-3-enyl)oxolan-2-one

5-(2-methylidenecyclopentyl)-4-(1-trimethylsilyloxybut-3-enyl)oxolan-2-one (PubChem CID 142668020) has the molecular formula C17H28O3Si and a molecular weight of 308.49 g/mol. Its IUPAC name is 5-(2-methylidenecyclopentyl)-4-(1-trimethylsilyloxybut-3-enyl)oxolan-2-one.

Molecular Properties

Compound Name5-(2-methylidenecyclopentyl)-4-(1-trimethylsilyloxybut-3-enyl)oxolan-2-one
PubChem CID142668020
Molecular FormulaC17H28O3Si
Molecular Weight308.49 g/mol
Exact Mass308.18
IUPAC Name5-(2-methylidenecyclopentyl)-4-(1-trimethylsilyloxybut-3-enyl)oxolan-2-one
SMILESC=CCC(O[Si](C)(C)C)C1CC(=O)OC1C1CCCC1=C
InChIInChI=1S/C17H28O3Si/c1-6-8-15(20-21(3,4)5)14-11-16(18)19-17(14)13-10-7-9-12(13)2/h6,13-15,17H,1-2,7-11H2,3-5H3
InChIKeyGMJFVHBZRHGCHV-UHFFFAOYSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2-methylidenecyclopentyl)-4-(1-trimethylsilyloxybut-3-enyl)oxolan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

(1S,6S,9R,13R,14S,15S,17R,19S)-14-[tert-butyl(dimethyl)silyl]oxy-6,13,19-trimethyl-11-methylidene-9-propyl-15-triethylsilyloxy-8,20-dioxabicyclo[15.2.1]icosan-7-one
CID 56954377
(1S,6S,9R,13R,14S,15S,17R,19S)-6,13,19-trimethyl-11-methylidene-9-propyl-14,15-bis(triethylsilyloxy)-8,20-dioxabicyclo[15.2.1]icosan-7-one
CID 135021871
(1S,6S,9R,13R,14S,15S,17R,19S)-15-[tert-butyl(dimethyl)silyl]oxy-6,13,19-trimethyl-11-methylidene-9-propyl-14-triethylsilyloxy-8,20-dioxabicyclo[15.2.1]icosan-7-one
CID 135021872
5-(2-Methylidenecyclopentyl)-4-(3-methyl-1-trimethylsilyloxybut-3-enyl)oxolan-2-one
CID 72961771
4-(1-Hydroxybut-3-enyl)-5-(2-methylidenecyclopentyl)oxolan-2-one
CID 142668021
(4R,5S)-5-[(1R)-2-methylidenecyclopentyl]-4-[(1R)-3-methyl-1-trimethylsilyloxybut-3-enyl]oxolan-2-one
CID 11438672
(3aS,4S,9aS,9bR)-6-methyl-4-triethylsilyloxy-3a,4,5,7,8,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
CID 11500964
(4S,5R)-5-[(1S)-2-methylidenecyclopentyl]-4-[(1S)-3-methyl-1-triethylsilyloxybut-3-enyl]oxolan-2-one
CID 11667718
(4S,5R)-5-[(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyloct-7-enyl]-4-ethenyloxolan-2-one
CID 24754868
(3aS,5aS,7S,8aS,9S,9aS)-9-[tert-butyl(dimethyl)silyl]oxy-7-ethenyl-3a,5a,6,7,8,8a,9,9a-octahydro-1H-azuleno[5,6-c]furan-3-one
CID 25067614
(4S)-5-[(2R,3S)-3-ethenyl-5-oxooxolan-2-yl]-4-methyl-4-trimethylsilyloxypentanal
CID 46201118
(4S,5R)-4-ethenyl-5-[(2S,5S,6R)-5-hydroxy-2,6-dimethyl-2-trimethylsilyloxyoct-7-enyl]oxolan-2-one
CID 46201119

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylidenecyclopentyl)-4-(1-trimethylsilyloxybut-3-enyl)oxolan-2-one?
The IUPAC name of 5-(2-methylidenecyclopentyl)-4-(1-trimethylsilyloxybut-3-enyl)oxolan-2-one (CID 142668020) is 5-(2-methylidenecyclopentyl)-4-(1-trimethylsilyloxybut-3-enyl)oxolan-2-one.
What is the SMILES notation for 5-(2-methylidenecyclopentyl)-4-(1-trimethylsilyloxybut-3-enyl)oxolan-2-one?
The canonical SMILES for 5-(2-methylidenecyclopentyl)-4-(1-trimethylsilyloxybut-3-enyl)oxolan-2-one is C=CCC(O[Si](C)(C)C)C1CC(=O)OC1C1CCCC1=C.
What is the InChIKey of 5-(2-methylidenecyclopentyl)-4-(1-trimethylsilyloxybut-3-enyl)oxolan-2-one?
The InChIKey is GMJFVHBZRHGCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3Si/c1-6-8-15(20-21(3,4)5)14-11-16(18)19-17(14)13-10-7-9-12(13)2/h6,13-15,17H,1-2,7-11H2,3-5H3.
What are the key properties of 5-(2-methylidenecyclopentyl)-4-(1-trimethylsilyloxybut-3-enyl)oxolan-2-one?
5-(2-methylidenecyclopentyl)-4-(1-trimethylsilyloxybut-3-enyl)oxolan-2-one has a molecular weight of 308.49 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylidenecyclopentyl)-4-(1-trimethylsilyloxybut-3-enyl)oxolan-2-one is sourced from PubChem (CID 142668020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).