cis-(2R,4S)-4-methoxy-4-methyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one

C14H24O2Si — CID 134878101

IUPACcis-(2R,4S)-4-methoxy-4-methyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one
SMILESCO[C@@]1(C)CCC(=O)[C@H](CC#C[Si](C)(C)C)C1
InChIInChI=1S/C14H24O2Si/c1-14(16-2)9-8-13(15)12(11-14)7-6-10-17(3,4)5/h12H,7-9,11H2,1-5H3/t12-,14+/m1/s1
InChIKeyIECUSVWCQQILEG-OCCSQVGLSA-N
MW252.43 g/mol
LogP3.03
Rot. Bonds2

About cis-(2R,4S)-4-methoxy-4-methyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one

cis-(2R,4S)-4-methoxy-4-methyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one (PubChem CID 134878101) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is cis-(2R,4S)-4-methoxy-4-methyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one.

Molecular Properties

Compound Namecis-(2R,4S)-4-methoxy-4-methyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one
PubChem CID134878101
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Namecis-(2R,4S)-4-methoxy-4-methyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one
SMILESCO[C@@]1(C)CCC(=O)[C@H](CC#C[Si](C)(C)C)C1
InChIInChI=1S/C14H24O2Si/c1-14(16-2)9-8-13(15)12(11-14)7-6-10-17(3,4)5/h12H,7-9,11H2,1-5H3/t12-,14+/m1/s1
InChIKeyIECUSVWCQQILEG-OCCSQVGLSA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylcyclohexan-1-one
CID 11173281
(2R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-6-methylcyclohexan-1-one
CID 12037363
1-[3-[Tert-butyl(dimethyl)silyl]oxy-5-methylcyclohexyl]ethanone
CID 160434435

Frequently Asked Questions

What is the IUPAC name of cis-(2R,4S)-4-methoxy-4-methyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one?
The IUPAC name of cis-(2R,4S)-4-methoxy-4-methyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one (CID 134878101) is cis-(2R,4S)-4-methoxy-4-methyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one.
What is the SMILES notation for cis-(2R,4S)-4-methoxy-4-methyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one?
The canonical SMILES for cis-(2R,4S)-4-methoxy-4-methyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one is CO[C@@]1(C)CCC(=O)[C@H](CC#C[Si](C)(C)C)C1.
What is the InChIKey of cis-(2R,4S)-4-methoxy-4-methyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one?
The InChIKey is IECUSVWCQQILEG-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H24O2Si/c1-14(16-2)9-8-13(15)12(11-14)7-6-10-17(3,4)5/h12H,7-9,11H2,1-5H3/t12-,14+/m1/s1.
What are the key properties of cis-(2R,4S)-4-methoxy-4-methyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one?
cis-(2R,4S)-4-methoxy-4-methyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one has a molecular weight of 252.43 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,4S)-4-methoxy-4-methyl-2-(3-trimethylsilylprop-2-ynyl)cyclohexan-1-one is sourced from PubChem (CID 134878101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).