1-O-methyl 2-O-(1-trimethylsilylethyl) 4,5-dimethylcyclohexane-1,2-dicarboxylate

C16H30O4Si — CID 23550635

IUPAC1-O-methyl 2-O-(1-trimethylsilylethyl) 4,5-dimethylcyclohexane-1,2-dicarboxylate
SMILESCOC(=O)C1CC(C)C(C)CC1C(=O)OC(C)[Si](C)(C)C
InChIInChI=1S/C16H30O4Si/c1-10-8-13(15(17)19-4)14(9-11(10)2)16(18)20-12(3)21(5,6)7/h10-14H,8-9H2,1-7H3
InChIKeyAXLIGBCDKKFLKC-UHFFFAOYSA-N
MW314.50 g/mol
LogP3.27
Rot. Bonds4

About 1-O-methyl 2-O-(1-trimethylsilylethyl) 4,5-dimethylcyclohexane-1,2-dicarboxylate

1-O-methyl 2-O-(1-trimethylsilylethyl) 4,5-dimethylcyclohexane-1,2-dicarboxylate (PubChem CID 23550635) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is 1-O-methyl 2-O-(1-trimethylsilylethyl) 4,5-dimethylcyclohexane-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-methyl 2-O-(1-trimethylsilylethyl) 4,5-dimethylcyclohexane-1,2-dicarboxylate
PubChem CID23550635
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Name1-O-methyl 2-O-(1-trimethylsilylethyl) 4,5-dimethylcyclohexane-1,2-dicarboxylate
SMILESCOC(=O)C1CC(C)C(C)CC1C(=O)OC(C)[Si](C)(C)C
InChIInChI=1S/C16H30O4Si/c1-10-8-13(15(17)19-4)14(9-11(10)2)16(18)20-12(3)21(5,6)7/h10-14H,8-9H2,1-7H3
InChIKeyAXLIGBCDKKFLKC-UHFFFAOYSA-N
XLogP3.27
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.27
H-Bond Donors ≤ 50
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 1-O-methyl 2-O-(1-trimethylsilylethyl) 4,5-dimethylcyclohexane-1,2-dicarboxylate?
The IUPAC name of 1-O-methyl 2-O-(1-trimethylsilylethyl) 4,5-dimethylcyclohexane-1,2-dicarboxylate (CID 23550635) is 1-O-methyl 2-O-(1-trimethylsilylethyl) 4,5-dimethylcyclohexane-1,2-dicarboxylate.
What is the SMILES notation for 1-O-methyl 2-O-(1-trimethylsilylethyl) 4,5-dimethylcyclohexane-1,2-dicarboxylate?
The canonical SMILES for 1-O-methyl 2-O-(1-trimethylsilylethyl) 4,5-dimethylcyclohexane-1,2-dicarboxylate is COC(=O)C1CC(C)C(C)CC1C(=O)OC(C)[Si](C)(C)C.
What is the InChIKey of 1-O-methyl 2-O-(1-trimethylsilylethyl) 4,5-dimethylcyclohexane-1,2-dicarboxylate?
The InChIKey is AXLIGBCDKKFLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-10-8-13(15(17)19-4)14(9-11(10)2)16(18)20-12(3)21(5,6)7/h10-14H,8-9H2,1-7H3.
What are the key properties of 1-O-methyl 2-O-(1-trimethylsilylethyl) 4,5-dimethylcyclohexane-1,2-dicarboxylate?
1-O-methyl 2-O-(1-trimethylsilylethyl) 4,5-dimethylcyclohexane-1,2-dicarboxylate has a molecular weight of 314.50 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 2-O-(1-trimethylsilylethyl) 4,5-dimethylcyclohexane-1,2-dicarboxylate is sourced from PubChem (CID 23550635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).