(2R)-2-[(S)-methoxy-(1-trimethylsilylcyclopropyl)methyl]cyclohexan-1-one

C14H26O2Si — CID 99771627

IUPAC(2R)-2-[(S)-methoxy-(1-trimethylsilylcyclopropyl)methyl]cyclohexan-1-one
SMILESCO[C@@H]([C@H]1CCCCC1=O)C1([Si](C)(C)C)CC1
InChIInChI=1S/C14H26O2Si/c1-16-13(11-7-5-6-8-12(11)15)14(9-10-14)17(2,3)4/h11,13H,5-10H2,1-4H3/t11-,13-/m0/s1
InChIKeyGMDYHIXLGVANRC-AAEUAGOBSA-N
MW254.45 g/mol
LogP3.63
Rot. Bonds4

About (2R)-2-[(S)-methoxy-(1-trimethylsilylcyclopropyl)methyl]cyclohexan-1-one

(2R)-2-[(S)-methoxy-(1-trimethylsilylcyclopropyl)methyl]cyclohexan-1-one (PubChem CID 99771627) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (2R)-2-[(S)-methoxy-(1-trimethylsilylcyclopropyl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-[(S)-methoxy-(1-trimethylsilylcyclopropyl)methyl]cyclohexan-1-one
PubChem CID99771627
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(2R)-2-[(S)-methoxy-(1-trimethylsilylcyclopropyl)methyl]cyclohexan-1-one
SMILESCO[C@@H]([C@H]1CCCCC1=O)C1([Si](C)(C)C)CC1
InChIInChI=1S/C14H26O2Si/c1-16-13(11-7-5-6-8-12(11)15)14(9-10-14)17(2,3)4/h11,13H,5-10H2,1-4H3/t11-,13-/m0/s1
InChIKeyGMDYHIXLGVANRC-AAEUAGOBSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2R)-2-[(S)-methoxy-(1-trimethylsilylcyclopropyl)methyl]cyclohexan-1-one?
The IUPAC name of (2R)-2-[(S)-methoxy-(1-trimethylsilylcyclopropyl)methyl]cyclohexan-1-one (CID 99771627) is (2R)-2-[(S)-methoxy-(1-trimethylsilylcyclopropyl)methyl]cyclohexan-1-one.
What is the SMILES notation for (2R)-2-[(S)-methoxy-(1-trimethylsilylcyclopropyl)methyl]cyclohexan-1-one?
The canonical SMILES for (2R)-2-[(S)-methoxy-(1-trimethylsilylcyclopropyl)methyl]cyclohexan-1-one is CO[C@@H]([C@H]1CCCCC1=O)C1([Si](C)(C)C)CC1.
What is the InChIKey of (2R)-2-[(S)-methoxy-(1-trimethylsilylcyclopropyl)methyl]cyclohexan-1-one?
The InChIKey is GMDYHIXLGVANRC-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-16-13(11-7-5-6-8-12(11)15)14(9-10-14)17(2,3)4/h11,13H,5-10H2,1-4H3/t11-,13-/m0/s1.
What are the key properties of (2R)-2-[(S)-methoxy-(1-trimethylsilylcyclopropyl)methyl]cyclohexan-1-one?
(2R)-2-[(S)-methoxy-(1-trimethylsilylcyclopropyl)methyl]cyclohexan-1-one has a molecular weight of 254.45 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(S)-methoxy-(1-trimethylsilylcyclopropyl)methyl]cyclohexan-1-one is sourced from PubChem (CID 99771627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).