(3R)-4,4-dimethyl-3-(3-trimethylsilylpropyl)cyclohexan-1-one

C14H28OSi — CID 57336735

IUPAC(3R)-4,4-dimethyl-3-(3-trimethylsilylpropyl)cyclohexan-1-one
SMILESCC1(C)CCC(=O)C[C@H]1CCC[Si](C)(C)C
InChIInChI=1S/C14H28OSi/c1-14(2)9-8-13(15)11-12(14)7-6-10-16(3,4)5/h12H,6-11H2,1-5H3/t12-/m1/s1
InChIKeyPQTNACMJSGYADY-GFCCVEGCSA-N
MW240.46 g/mol
LogP4.50
Rot. Bonds4

About (3R)-4,4-dimethyl-3-(3-trimethylsilylpropyl)cyclohexan-1-one

(3R)-4,4-dimethyl-3-(3-trimethylsilylpropyl)cyclohexan-1-one (PubChem CID 57336735) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is (3R)-4,4-dimethyl-3-(3-trimethylsilylpropyl)cyclohexan-1-one.

Molecular Properties

Compound Name(3R)-4,4-dimethyl-3-(3-trimethylsilylpropyl)cyclohexan-1-one
PubChem CID57336735
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name(3R)-4,4-dimethyl-3-(3-trimethylsilylpropyl)cyclohexan-1-one
SMILESCC1(C)CCC(=O)C[C@H]1CCC[Si](C)(C)C
InChIInChI=1S/C14H28OSi/c1-14(2)9-8-13(15)11-12(14)7-6-10-16(3,4)5/h12H,6-11H2,1-5H3/t12-/m1/s1
InChIKeyPQTNACMJSGYADY-GFCCVEGCSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-4,4-dimethyl-3-(3-trimethylsilylpropyl)cyclohexan-1-one?
The IUPAC name of (3R)-4,4-dimethyl-3-(3-trimethylsilylpropyl)cyclohexan-1-one (CID 57336735) is (3R)-4,4-dimethyl-3-(3-trimethylsilylpropyl)cyclohexan-1-one.
What is the SMILES notation for (3R)-4,4-dimethyl-3-(3-trimethylsilylpropyl)cyclohexan-1-one?
The canonical SMILES for (3R)-4,4-dimethyl-3-(3-trimethylsilylpropyl)cyclohexan-1-one is CC1(C)CCC(=O)C[C@H]1CCC[Si](C)(C)C.
What is the InChIKey of (3R)-4,4-dimethyl-3-(3-trimethylsilylpropyl)cyclohexan-1-one?
The InChIKey is PQTNACMJSGYADY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H28OSi/c1-14(2)9-8-13(15)11-12(14)7-6-10-16(3,4)5/h12H,6-11H2,1-5H3/t12-/m1/s1.
What are the key properties of (3R)-4,4-dimethyl-3-(3-trimethylsilylpropyl)cyclohexan-1-one?
(3R)-4,4-dimethyl-3-(3-trimethylsilylpropyl)cyclohexan-1-one has a molecular weight of 240.46 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,4-dimethyl-3-(3-trimethylsilylpropyl)cyclohexan-1-one is sourced from PubChem (CID 57336735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).