(3R)-3-[4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentyl]-3-methylcyclohexan-1-one

C19H38O2Si — CID 140706184

IUPAC(3R)-3-[4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentyl]-3-methylcyclohexan-1-one
SMILESCC(C)(CCC[C@]1(C)CCCC(=O)C1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O2Si/c1-17(2,3)22(7,8)21-18(4,5)12-10-14-19(6)13-9-11-16(20)15-19/h9-15H2,1-8H3/t19-/m0/s1
InChIKeyAEDIYGAISFTUIZ-IBGZPJMESA-N
MW326.60 g/mol
LogP6.11
Rot. Bonds6

About (3R)-3-[4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentyl]-3-methylcyclohexan-1-one

(3R)-3-[4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentyl]-3-methylcyclohexan-1-one (PubChem CID 140706184) has the molecular formula C19H38O2Si and a molecular weight of 326.60 g/mol. Its IUPAC name is (3R)-3-[4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentyl]-3-methylcyclohexan-1-one.

Molecular Properties

Compound Name(3R)-3-[4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentyl]-3-methylcyclohexan-1-one
PubChem CID140706184
Molecular FormulaC19H38O2Si
Molecular Weight326.60 g/mol
Exact Mass326.26
IUPAC Name(3R)-3-[4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentyl]-3-methylcyclohexan-1-one
SMILESCC(C)(CCC[C@]1(C)CCCC(=O)C1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O2Si/c1-17(2,3)22(7,8)21-18(4,5)12-10-14-19(6)13-9-11-16(20)15-19/h9-15H2,1-8H3/t19-/m0/s1
InChIKeyAEDIYGAISFTUIZ-IBGZPJMESA-N
XLogP6.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 56.11
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 (3R)-3-[4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentyl]-3-methylcyclohexan-1-one?
The IUPAC name of (3R)-3-[4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentyl]-3-methylcyclohexan-1-one (CID 140706184) is (3R)-3-[4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentyl]-3-methylcyclohexan-1-one.
What is the SMILES notation for (3R)-3-[4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentyl]-3-methylcyclohexan-1-one?
The canonical SMILES for (3R)-3-[4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentyl]-3-methylcyclohexan-1-one is CC(C)(CCC[C@]1(C)CCCC(=O)C1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R)-3-[4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentyl]-3-methylcyclohexan-1-one?
The InChIKey is AEDIYGAISFTUIZ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H38O2Si/c1-17(2,3)22(7,8)21-18(4,5)12-10-14-19(6)13-9-11-16(20)15-19/h9-15H2,1-8H3/t19-/m0/s1.
What are the key properties of (3R)-3-[4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentyl]-3-methylcyclohexan-1-one?
(3R)-3-[4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentyl]-3-methylcyclohexan-1-one has a molecular weight of 326.60 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[tert-butyl(dimethyl)silyl]oxy-4-methylpentyl]-3-methylcyclohexan-1-one is sourced from PubChem (CID 140706184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).