2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate

C13H26O2Si — CID 59599000

IUPAC2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate
SMILESCC1CCCCC1C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C13H26O2Si/c1-11-7-5-6-8-12(11)13(14)15-9-10-16(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyVRICLVDPKHTMNO-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.69
Rot. Bonds4

About 2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate

2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate (PubChem CID 59599000) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate
PubChem CID59599000
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate
SMILESCC1CCCCC1C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C13H26O2Si/c1-11-7-5-6-8-12(11)13(14)15-9-10-16(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyVRICLVDPKHTMNO-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate?
The IUPAC name of 2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate (CID 59599000) is 2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate is CC1CCCCC1C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate?
The InChIKey is VRICLVDPKHTMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-11-7-5-6-8-12(11)13(14)15-9-10-16(2,3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate?
2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate has a molecular weight of 242.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 59599000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).