2-trimethylsilylethyl 3,4-dihydroxycyclohexane-1-carboxylate

C12H24O4Si — CID 71123702

IUPAC2-trimethylsilylethyl 3,4-dihydroxycyclohexane-1-carboxylate
SMILESC[Si](C)(C)CCOC(=O)C1CCC(O)C(O)C1
InChIInChI=1S/C12H24O4Si/c1-17(2,3)7-6-16-12(15)9-4-5-10(13)11(14)8-9/h9-11,13-14H,4-8H2,1-3H3
InChIKeySYKJKCYHKMAKET-UHFFFAOYSA-N
MW260.41 g/mol
LogP1.39
Rot. Bonds4

About 2-trimethylsilylethyl 3,4-dihydroxycyclohexane-1-carboxylate

2-trimethylsilylethyl 3,4-dihydroxycyclohexane-1-carboxylate (PubChem CID 71123702) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-trimethylsilylethyl 3,4-dihydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl 3,4-dihydroxycyclohexane-1-carboxylate
PubChem CID71123702
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name2-trimethylsilylethyl 3,4-dihydroxycyclohexane-1-carboxylate
SMILESC[Si](C)(C)CCOC(=O)C1CCC(O)C(O)C1
InChIInChI=1S/C12H24O4Si/c1-17(2,3)7-6-16-12(15)9-4-5-10(13)11(14)8-9/h9-11,13-14H,4-8H2,1-3H3
InChIKeySYKJKCYHKMAKET-UHFFFAOYSA-N
XLogP1.39
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 3,4,5-trihydroxycyclohexane-1-carboxylate
CID 247580
cis-methyl (3R,5S)-3,4,5-trihydroxycyclohexane-1-carboxylate
CID 46188180
4-Hydroxy-3,5-dimethoxycyclohexane-1-carboxylic acid
CID 149428703
Dimethyl (1s,2s,4s,5s)-4,5-Dihydroxycyclohexane-1,2-Dicarboxylate
CID 53389258
methyl (1R,3R,4R)-3-methoxy-4-tri(propan-2-yl)silyloxycyclohexane-1-carboxylate
CID 10893326
dimethyl (1R,2S,4S,5R)-4,5-dihydroxycyclohexane-1,2-dicarboxylate
CID 67189287
Ethyl 3,4-dihydroxycyclohexane-1-carboxylate
CID 134861534
(3,4-Dihydroxycyclohexyl)methyl 3,4-dihydroxycyclohexanecarboxylate
CID 3024170
2-Trimethylsilylethyl 3-fluoro-4-hydroxycyclohexane-1-carboxylate
CID 59001147
methyl (1S,3R,4R)-4-hydroxy-3-methoxycyclohexane-1-carboxylate
CID 58443600
methyl (1S,3S,4S)-4-hydroxy-3-methoxycyclohexane-1-carboxylate
CID 58443612
(1R,3R,4R)-3-[(1S)-1-carboxyethoxy]-4-hydroxycyclohexane-1-carboxylic acid
CID 171390617

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 3,4-dihydroxycyclohexane-1-carboxylate?
The IUPAC name of 2-trimethylsilylethyl 3,4-dihydroxycyclohexane-1-carboxylate (CID 71123702) is 2-trimethylsilylethyl 3,4-dihydroxycyclohexane-1-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl 3,4-dihydroxycyclohexane-1-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl 3,4-dihydroxycyclohexane-1-carboxylate is C[Si](C)(C)CCOC(=O)C1CCC(O)C(O)C1.
What is the InChIKey of 2-trimethylsilylethyl 3,4-dihydroxycyclohexane-1-carboxylate?
The InChIKey is SYKJKCYHKMAKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-17(2,3)7-6-16-12(15)9-4-5-10(13)11(14)8-9/h9-11,13-14H,4-8H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl 3,4-dihydroxycyclohexane-1-carboxylate?
2-trimethylsilylethyl 3,4-dihydroxycyclohexane-1-carboxylate has a molecular weight of 260.41 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 3,4-dihydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 71123702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).