(2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-one

C20H38O2Si — CID 10830887

IUPAC(2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC[C@]1(C)[C@@]1(C)CCCCC1=O
InChIInChI=1S/C20H38O2Si/c1-18(2,3)23(6,7)22-15-16-11-10-14-19(16,4)20(5)13-9-8-12-17(20)21/h16H,8-15H2,1-7H3/t16-,19-,20-/m0/s1
InChIKeyRGQMGQGCHYEZBH-VDGAXYAQSA-N
MW338.61 g/mol
LogP5.96
Rot. Bonds4

About (2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-one

(2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-one (PubChem CID 10830887) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is (2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-one
PubChem CID10830887
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Name(2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC[C@]1(C)[C@@]1(C)CCCCC1=O
InChIInChI=1S/C20H38O2Si/c1-18(2,3)23(6,7)22-15-16-11-10-14-19(16,4)20(5)13-9-8-12-17(20)21/h16H,8-15H2,1-7H3/t16-,19-,20-/m0/s1
InChIKeyRGQMGQGCHYEZBH-VDGAXYAQSA-N
XLogP5.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 55.96
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-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-one?
The IUPAC name of (2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-one (CID 10830887) is (2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-one.
What is the SMILES notation for (2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-one?
The canonical SMILES for (2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-one is CC(C)(C)[Si](C)(C)OC[C@@H]1CCC[C@]1(C)[C@@]1(C)CCCCC1=O.
What is the InChIKey of (2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-one?
The InChIKey is RGQMGQGCHYEZBH-VDGAXYAQSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-18(2,3)23(6,7)22-15-16-11-10-14-19(16,4)20(5)13-9-8-12-17(20)21/h16H,8-15H2,1-7H3/t16-,19-,20-/m0/s1.
What are the key properties of (2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-one?
(2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-one has a molecular weight of 338.61 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexan-1-one is sourced from PubChem (CID 10830887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).