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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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).