2-methylcyclohexane-1-carboxylic acid;2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate

C21H40O4Si — CID 161025451

IUPAC2-methylcyclohexane-1-carboxylic acid;2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate
SMILESCC1CCCCC1C(=O)O.CC1CCCCC1C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C13H26O2Si.C8H14O2/c1-11-7-5-6-8-12(11)13(14)15-9-10-16(2,3)4;1-6-4-2-3-5-7(6)8(9)10/h11-12H,5-10H2,1-4H3;6-7H,2-5H2,1H3,(H,9,10)
InChIKeyTYXLGIZCHHWATF-UHFFFAOYSA-N
MW384.63 g/mol
LogP5.59
Rot. Bonds5

About 2-methylcyclohexane-1-carboxylic acid;2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate

2-methylcyclohexane-1-carboxylic acid;2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate (PubChem CID 161025451) has the molecular formula C21H40O4Si and a molecular weight of 384.63 g/mol. Its IUPAC name is 2-methylcyclohexane-1-carboxylic acid;2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-methylcyclohexane-1-carboxylic acid;2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate
PubChem CID161025451
Molecular FormulaC21H40O4Si
Molecular Weight384.63 g/mol
Exact Mass384.27
IUPAC Name2-methylcyclohexane-1-carboxylic acid;2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate
SMILESCC1CCCCC1C(=O)O.CC1CCCCC1C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C13H26O2Si.C8H14O2/c1-11-7-5-6-8-12(11)13(14)15-9-10-16(2,3)4;1-6-4-2-3-5-7(6)8(9)10/h11-12H,5-10H2,1-4H3;6-7H,2-5H2,1H3,(H,9,10)
InChIKeyTYXLGIZCHHWATF-UHFFFAOYSA-N
XLogP5.59
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.63
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,3S)-3-(2-trimethylsilylethoxycarbonyl)cyclobutane-1,2-dicarboxylic acid
CID 70182808
(1S)-2-methylcyclohexane-1-carboxylic acid
CID 89206969
ethane;(2-methylcyclohexanecarbonyl)oxymethyl 2-methylcyclohexane-1-carboxylate
CID 91131520
trans-ethyl (1S,2S)-2-methylcyclohexane-1-carboxylate
CID 28766550
cis-(1R,2S)-2-[2-[(1R,2R)-2-carboxycyclohexanecarbonyl]oxyethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 7052272
2-methylcyclohexane-1-carboxylic acid;dihydrochloride
CID 90238967
2-methylcyclooctane-1-carboxylic acid
CID 21039885
chloromethyl 2-methylcyclohexane-1-carboxylate
CID 141258978
ethyl 2-methylcyclopentane-1-carboxylate
CID 10844634
bis(2-butoxycarbonylcyclohexane-1-carboxylic acid);bis(hydroxy(trimethyl)silane);titanium
CID 155635723
2-trimethylsilylethyl 3-methylcyclohexane-1-carboxylate
CID 59599392
2-trimethylsilylethyl 5,6-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 90925989

Frequently Asked Questions

What is the IUPAC name of 2-methylcyclohexane-1-carboxylic acid;2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate?
The IUPAC name of 2-methylcyclohexane-1-carboxylic acid;2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate (CID 161025451) is 2-methylcyclohexane-1-carboxylic acid;2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate.
What is the SMILES notation for 2-methylcyclohexane-1-carboxylic acid;2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate?
The canonical SMILES for 2-methylcyclohexane-1-carboxylic acid;2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate is CC1CCCCC1C(=O)O.CC1CCCCC1C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-methylcyclohexane-1-carboxylic acid;2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate?
The InChIKey is TYXLGIZCHHWATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si.C8H14O2/c1-11-7-5-6-8-12(11)13(14)15-9-10-16(2,3)4;1-6-4-2-3-5-7(6)8(9)10/h11-12H,5-10H2,1-4H3;6-7H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-methylcyclohexane-1-carboxylic acid;2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate?
2-methylcyclohexane-1-carboxylic acid;2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate has a molecular weight of 384.63 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylcyclohexane-1-carboxylic acid;2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 161025451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).