5-(3-dimethylsilyloxy-4,4-dimethylpent-1-en-2-yl)-2-methylcyclohexan-1-one

C16H30O2Si — CID 57372696

IUPAC5-(3-dimethylsilyloxy-4,4-dimethylpent-1-en-2-yl)-2-methylcyclohexan-1-one
SMILESC=C(C1CCC(C)C(=O)C1)C(O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-11-8-9-13(10-14(11)17)12(2)15(16(3,4)5)18-19(6)7/h11,13,15,19H,2,8-10H2,1,3-7H3
InChIKeyMERCFUHBXCGHCU-UHFFFAOYSA-N
MW282.50 g/mol
LogP3.96
Rot. Bonds4

About 5-(3-dimethylsilyloxy-4,4-dimethylpent-1-en-2-yl)-2-methylcyclohexan-1-one

5-(3-dimethylsilyloxy-4,4-dimethylpent-1-en-2-yl)-2-methylcyclohexan-1-one (PubChem CID 57372696) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is 5-(3-dimethylsilyloxy-4,4-dimethylpent-1-en-2-yl)-2-methylcyclohexan-1-one.

Molecular Properties

Compound Name5-(3-dimethylsilyloxy-4,4-dimethylpent-1-en-2-yl)-2-methylcyclohexan-1-one
PubChem CID57372696
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name5-(3-dimethylsilyloxy-4,4-dimethylpent-1-en-2-yl)-2-methylcyclohexan-1-one
SMILESC=C(C1CCC(C)C(=O)C1)C(O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-11-8-9-13(10-14(11)17)12(2)15(16(3,4)5)18-19(6)7/h11,13,15,19H,2,8-10H2,1,3-7H3
InChIKeyMERCFUHBXCGHCU-UHFFFAOYSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[Tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,5-dimethylcyclohexane-1,3-dione
CID 164676287
Cyclohexanone, 2-methyl-5-[1-(t-butyldimethylsilyloxymethyl)ethenyl]-
CID 554858
(2S,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 10858982
1-[(1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-2-methylidenecyclohexyl]-3-methylbutan-2-one
CID 11089062
(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 11808160
trans-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 100971927
2-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]-2-(2-methylprop-2-enyl)cyclohexan-1-one
CID 101059161
2-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]-5-(2-methylprop-2-enyl)cyclohexan-1-one
CID 101059165
(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 124639962
(2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 124639963
(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 124639964

Frequently Asked Questions

What is the IUPAC name of 5-(3-dimethylsilyloxy-4,4-dimethylpent-1-en-2-yl)-2-methylcyclohexan-1-one?
The IUPAC name of 5-(3-dimethylsilyloxy-4,4-dimethylpent-1-en-2-yl)-2-methylcyclohexan-1-one (CID 57372696) is 5-(3-dimethylsilyloxy-4,4-dimethylpent-1-en-2-yl)-2-methylcyclohexan-1-one.
What is the SMILES notation for 5-(3-dimethylsilyloxy-4,4-dimethylpent-1-en-2-yl)-2-methylcyclohexan-1-one?
The canonical SMILES for 5-(3-dimethylsilyloxy-4,4-dimethylpent-1-en-2-yl)-2-methylcyclohexan-1-one is C=C(C1CCC(C)C(=O)C1)C(O[SiH](C)C)C(C)(C)C.
What is the InChIKey of 5-(3-dimethylsilyloxy-4,4-dimethylpent-1-en-2-yl)-2-methylcyclohexan-1-one?
The InChIKey is MERCFUHBXCGHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-11-8-9-13(10-14(11)17)12(2)15(16(3,4)5)18-19(6)7/h11,13,15,19H,2,8-10H2,1,3-7H3.
What are the key properties of 5-(3-dimethylsilyloxy-4,4-dimethylpent-1-en-2-yl)-2-methylcyclohexan-1-one?
5-(3-dimethylsilyloxy-4,4-dimethylpent-1-en-2-yl)-2-methylcyclohexan-1-one has a molecular weight of 282.50 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-dimethylsilyloxy-4,4-dimethylpent-1-en-2-yl)-2-methylcyclohexan-1-one is sourced from PubChem (CID 57372696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).