methyl (1S)-2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate

C13H24O4Si — CID 14712062

IUPACmethyl (1S)-2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
SMILESCOC(=O)[C@@]1(C)CCC(O[Si](C)(C)C)=CC1OC
InChIInChI=1S/C13H24O4Si/c1-13(12(14)16-3)8-7-10(9-11(13)15-2)17-18(4,5)6/h9,11H,7-8H2,1-6H3/t11?,13-/m0/s1
InChIKeyXLNRKGNZEPSKEF-YUZLPWPTSA-N
MW272.42 g/mol
LogP2.71
Rot. Bonds4

About methyl (1S)-2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate

methyl (1S)-2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate (PubChem CID 14712062) has the molecular formula C13H24O4Si and a molecular weight of 272.42 g/mol. Its IUPAC name is methyl (1S)-2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S)-2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
PubChem CID14712062
Molecular FormulaC13H24O4Si
Molecular Weight272.42 g/mol
Exact Mass272.14
IUPAC Namemethyl (1S)-2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
SMILESCOC(=O)[C@@]1(C)CCC(O[Si](C)(C)C)=CC1OC
InChIInChI=1S/C13H24O4Si/c1-13(12(14)16-3)8-7-10(9-11(13)15-2)17-18(4,5)6/h9,11H,7-8H2,1-6H3/t11?,13-/m0/s1
InChIKeyXLNRKGNZEPSKEF-YUZLPWPTSA-N
XLogP2.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxy-6-trimethylsilyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
CID 3559895
1-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxycyclohex-3-en-1-yl]ethanone
CID 134836931
methyl (1R,2S,6S)-2-methoxy-6-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 134889410
methyl (1R,2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 134900767
1-O-methyl 1-O'-propan-2-yl (1R,6S)-6-methyl-4-trimethylsilyloxycyclohex-3-ene-1,1-dicarboxylate
CID 134979922
(3S,3aR,7R,7aR)-7-methoxy-3-methyl-5-trimethylsilyloxy-3a,4,7,7a-tetrahydro-3H-2-benzofuran-1-one
CID 134980126
(3aR,4S,7aR)-4-methoxy-3a,7a-dimethyl-6-trimethylsilyloxy-4,7-dihydro-2-benzofuran-1,3-dione
CID 14901564
Methyl-2-methoxy-4-[(trimethylsilyl)oxy]cyclohex-3-ene-1-carboxylate
CID 15496370
Ethyl 6-acetyloxy-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 17929669
Ethyl 1-(hydroxymethyl)-4-((trimethylsilyl)oxy)cyclohex-3-enecarboxylate
CID 89734501
2-Methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylic acid
CID 90108496
(1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-1-methylcyclohex-3-ene-1-carbaldehyde
CID 10493339

Frequently Asked Questions

What is the IUPAC name of methyl (1S)-2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The IUPAC name of methyl (1S)-2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate (CID 14712062) is methyl (1S)-2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate.
What is the SMILES notation for methyl (1S)-2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The canonical SMILES for methyl (1S)-2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate is COC(=O)[C@@]1(C)CCC(O[Si](C)(C)C)=CC1OC.
What is the InChIKey of methyl (1S)-2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
The InChIKey is XLNRKGNZEPSKEF-YUZLPWPTSA-N. The full InChI is InChI=1S/C13H24O4Si/c1-13(12(14)16-3)8-7-10(9-11(13)15-2)17-18(4,5)6/h9,11H,7-8H2,1-6H3/t11?,13-/m0/s1.
What are the key properties of methyl (1S)-2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate?
methyl (1S)-2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate has a molecular weight of 272.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S)-2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 14712062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).