2-trimethylsilylethyl 2-methylidenecyclohexane-1-carboxylate

C13H24O2Si — CID 154457133

IUPAC2-trimethylsilylethyl 2-methylidenecyclohexane-1-carboxylate
SMILESC=C1CCCCC1C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C13H24O2Si/c1-11-7-5-6-8-12(11)13(14)15-9-10-16(2,3)4/h12H,1,5-10H2,2-4H3
InChIKeySCJOSGXXYFZDCC-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.61
Rot. Bonds4

About 2-trimethylsilylethyl 2-methylidenecyclohexane-1-carboxylate

2-trimethylsilylethyl 2-methylidenecyclohexane-1-carboxylate (PubChem CID 154457133) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-methylidenecyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2-methylidenecyclohexane-1-carboxylate
PubChem CID154457133
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name2-trimethylsilylethyl 2-methylidenecyclohexane-1-carboxylate
SMILESC=C1CCCCC1C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C13H24O2Si/c1-11-7-5-6-8-12(11)13(14)15-9-10-16(2,3)4/h12H,1,5-10H2,2-4H3
InChIKeySCJOSGXXYFZDCC-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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 2-trimethylsilylethyl 2-methylidenecyclohexane-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

Ethyl 4-methylidenecyclohexane-1-carboxylate
CID 15151435
Ethyl (2-methylidenecyclohexyl)acetate
CID 12679490
Ethyl 2-(4-methylenecyclohexyl)acetate
CID 11095257
Ethyl 3-methylidenecyclohexane-1-carboxylate
CID 11819423
Ethyl 1-methyl-2-methylidenecyclohexane-1-carboxylate
CID 13128964
3-[2-(Trimethylsilylmethyl)prop-2-enyl]oxan-2-one
CID 10751748
Ethyl 4-(trimethylsilylmethyl)cyclohex-3-ene-1-carboxylate
CID 12563472
ethyl (5E)-4-methyl-5-(trimethylsilyloxymethylidene)heptanoate
CID 13265454
methyl (Z)-3-cyclohexyl-2-trimethylsilyloct-3-enoate
CID 102203796
methyl (Z)-3-cyclohexyl-2-trimethylsilyltridec-3-enoate
CID 102203797
Methyl (4E)-2-methyl-4-[(trimethylsilyl)methylene]cyclopentanecarboxylate
CID 5368153
Cyclopentanecarboxylic acid, 2-methyl-4-(trimethylsilyl)methylene-, methyl ester, E,syn-
CID 5368154

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2-methylidenecyclohexane-1-carboxylate?
The IUPAC name of 2-trimethylsilylethyl 2-methylidenecyclohexane-1-carboxylate (CID 154457133) is 2-trimethylsilylethyl 2-methylidenecyclohexane-1-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl 2-methylidenecyclohexane-1-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl 2-methylidenecyclohexane-1-carboxylate is C=C1CCCCC1C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl 2-methylidenecyclohexane-1-carboxylate?
The InChIKey is SCJOSGXXYFZDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-11-7-5-6-8-12(11)13(14)15-9-10-16(2,3)4/h12H,1,5-10H2,2-4H3.
What are the key properties of 2-trimethylsilylethyl 2-methylidenecyclohexane-1-carboxylate?
2-trimethylsilylethyl 2-methylidenecyclohexane-1-carboxylate has a molecular weight of 240.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2-methylidenecyclohexane-1-carboxylate is sourced from PubChem (CID 154457133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).