(2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3,3-dimethylcyclohexan-1-one

C18H36O2Si — CID 11220700

IUPAC(2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3,3-dimethylcyclohexan-1-one
SMILESCC(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C(=O)CCCC1(C)C
InChIInChI=1S/C18H36O2Si/c1-13(2)16(20-21(8,9)17(3,4)5)15-14(19)11-10-12-18(15,6)7/h13,15-16H,10-12H2,1-9H3/t15-,16+/m0/s1
InChIKeyROKHXJKJJFWLCY-JKSUJKDBSA-N
MW312.57 g/mol
LogP5.43
Rot. Bonds4

About (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3,3-dimethylcyclohexan-1-one

(2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3,3-dimethylcyclohexan-1-one (PubChem CID 11220700) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3,3-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3,3-dimethylcyclohexan-1-one
PubChem CID11220700
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name(2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3,3-dimethylcyclohexan-1-one
SMILESCC(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C(=O)CCCC1(C)C
InChIInChI=1S/C18H36O2Si/c1-13(2)16(20-21(8,9)17(3,4)5)15-14(19)11-10-12-18(15,6)7/h13,15-16H,10-12H2,1-9H3/t15-,16+/m0/s1
InChIKeyROKHXJKJJFWLCY-JKSUJKDBSA-N
XLogP5.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.43
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-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3,3-dimethylcyclohexan-1-one?
The IUPAC name of (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3,3-dimethylcyclohexan-1-one (CID 11220700) is (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3,3-dimethylcyclohexan-1-one.
What is the SMILES notation for (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3,3-dimethylcyclohexan-1-one?
The canonical SMILES for (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3,3-dimethylcyclohexan-1-one is CC(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C(=O)CCCC1(C)C.
What is the InChIKey of (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3,3-dimethylcyclohexan-1-one?
The InChIKey is ROKHXJKJJFWLCY-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-13(2)16(20-21(8,9)17(3,4)5)15-14(19)11-10-12-18(15,6)7/h13,15-16H,10-12H2,1-9H3/t15-,16+/m0/s1.
What are the key properties of (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3,3-dimethylcyclohexan-1-one?
(2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3,3-dimethylcyclohexan-1-one has a molecular weight of 312.57 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-3,3-dimethylcyclohexan-1-one is sourced from PubChem (CID 11220700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).