methyl 3-propan-2-ylidene-4-trimethylsilylcyclopentane-1-carboxylate

C13H24O2Si — CID 552313

IUPACmethyl 3-propan-2-ylidene-4-trimethylsilylcyclopentane-1-carboxylate
SMILESCOC(=O)C1CC(=C(C)C)C([Si](C)(C)C)C1
InChIInChI=1S/C13H24O2Si/c1-9(2)11-7-10(13(14)15-3)8-12(11)16(4,5)6/h10,12H,7-8H2,1-6H3
InChIKeyNUQJOMRDUALGCV-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.61
Rot. Bonds2

About methyl 3-propan-2-ylidene-4-trimethylsilylcyclopentane-1-carboxylate

methyl 3-propan-2-ylidene-4-trimethylsilylcyclopentane-1-carboxylate (PubChem CID 552313) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is methyl 3-propan-2-ylidene-4-trimethylsilylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-propan-2-ylidene-4-trimethylsilylcyclopentane-1-carboxylate
PubChem CID552313
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Namemethyl 3-propan-2-ylidene-4-trimethylsilylcyclopentane-1-carboxylate
SMILESCOC(=O)C1CC(=C(C)C)C([Si](C)(C)C)C1
InChIInChI=1S/C13H24O2Si/c1-9(2)11-7-10(13(14)15-3)8-12(11)16(4,5)6/h10,12H,7-8H2,1-6H3
InChIKeyNUQJOMRDUALGCV-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl 3-propan-2-ylidene-4-trimethylsilylcyclopentane-1-carboxylate 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

Methyl 4-trimethylsilylmethyl-3-cyclohexenecarboxylate
CID 10537258
Methyl 2-propan-2-ylidenecyclopentane-1-carboxylate
CID 13757431
ethyl (E)-3,7-dimethyl-8-trimethylsilyloct-6-enoate
CID 11231042
Methyl 2-(2-propan-2-ylidenecyclopentyl)acetate
CID 12682233
Methyl 1-trimethylsilyl-2-cyclopropylcyclopropene-3-carboxylate
CID 12749201
Ethyl 3,7-dimethyl-8-trimethylsilyloct-6-enoate
CID 72761153
methyl 2-[(1R,2R)-2-[(E)-2-methyl-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate
CID 134901089
Methyl 1-trimethylsilyl-2-propyl-cyclopropene-3-carboxylate
CID 552557
3-Cyclopentene-R1-carboxylic acid, trans-2,4-dimethyl-3-trimethylsilyl-, methyl ester
CID 552613
Cyclopentanecarboxylic acid, 3-(trimethylsilylmethylene)-, methyl ester
CID 5366900
Cyclopentanecarboxylic acid, 3-hexylidene-, methyl ester, Z or E
CID 5368782
methyl (3Z)-3-(trimethylsilylmethylidene)cyclopentane-1-carboxylate
CID 13928497

Frequently Asked Questions

What is the IUPAC name of methyl 3-propan-2-ylidene-4-trimethylsilylcyclopentane-1-carboxylate?
The IUPAC name of methyl 3-propan-2-ylidene-4-trimethylsilylcyclopentane-1-carboxylate (CID 552313) is methyl 3-propan-2-ylidene-4-trimethylsilylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-propan-2-ylidene-4-trimethylsilylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-propan-2-ylidene-4-trimethylsilylcyclopentane-1-carboxylate is COC(=O)C1CC(=C(C)C)C([Si](C)(C)C)C1.
What is the InChIKey of methyl 3-propan-2-ylidene-4-trimethylsilylcyclopentane-1-carboxylate?
The InChIKey is NUQJOMRDUALGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-9(2)11-7-10(13(14)15-3)8-12(11)16(4,5)6/h10,12H,7-8H2,1-6H3.
What are the key properties of methyl 3-propan-2-ylidene-4-trimethylsilylcyclopentane-1-carboxylate?
methyl 3-propan-2-ylidene-4-trimethylsilylcyclopentane-1-carboxylate has a molecular weight of 240.42 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-propan-2-ylidene-4-trimethylsilylcyclopentane-1-carboxylate is sourced from PubChem (CID 552313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).