3-(7-methyl-3-methylidene-1-trimethylsilyloct-6-en-2-yl)cyclohexan-1-one

C19H34OSi — CID 102064415

IUPAC3-(7-methyl-3-methylidene-1-trimethylsilyloct-6-en-2-yl)cyclohexan-1-one
SMILESC=C(CCC=C(C)C)C(C[Si](C)(C)C)C1CCCC(=O)C1
InChIInChI=1S/C19H34OSi/c1-15(2)9-7-10-16(3)19(14-21(4,5)6)17-11-8-12-18(20)13-17/h9,17,19H,3,7-8,10-14H2,1-2,4-6H3
InChIKeyAONPXOGOSNOJNR-UHFFFAOYSA-N
MW306.57 g/mol
LogP6.00
Rot. Bonds7

About 3-(7-methyl-3-methylidene-1-trimethylsilyloct-6-en-2-yl)cyclohexan-1-one

3-(7-methyl-3-methylidene-1-trimethylsilyloct-6-en-2-yl)cyclohexan-1-one (PubChem CID 102064415) has the molecular formula C19H34OSi and a molecular weight of 306.57 g/mol. Its IUPAC name is 3-(7-methyl-3-methylidene-1-trimethylsilyloct-6-en-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(7-methyl-3-methylidene-1-trimethylsilyloct-6-en-2-yl)cyclohexan-1-one
PubChem CID102064415
Molecular FormulaC19H34OSi
Molecular Weight306.57 g/mol
Exact Mass306.24
IUPAC Name3-(7-methyl-3-methylidene-1-trimethylsilyloct-6-en-2-yl)cyclohexan-1-one
SMILESC=C(CCC=C(C)C)C(C[Si](C)(C)C)C1CCCC(=O)C1
InChIInChI=1S/C19H34OSi/c1-15(2)9-7-10-16(3)19(14-21(4,5)6)17-11-8-12-18(20)13-17/h9,17,19H,3,7-8,10-14H2,1-2,4-6H3
InChIKeyAONPXOGOSNOJNR-UHFFFAOYSA-N
XLogP6.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.57
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-Propanone, 1-[6-methyl-4-(4-methyl-3-penten-1-yl)-3-cyclohexen-1-yl]-
CID 109192
1-Propanone, 1-[6-methyl-3-(4-methyl-3-penten-1-yl)-3-cyclohexen-1-yl]-
CID 109191
2-Methyl-6-(4-methylcyclohex-3-en-1-yl)heptan-3-one
CID 6429340
(3E,7E,10R,13R)-3,7,13-trimethyl-10-prop-1-en-2-ylcyclotetradeca-3,7-dien-1-one
CID 21672096
(3E,7E,10R,13S)-3,7,13-trimethyl-10-prop-1-en-2-ylcyclotetradeca-3,7-dien-1-one
CID 162914112
(6S,10R,14R,18Z)-2,6,10,14,18-pentamethyl-22-[(1R)-4-methylcyclohex-3-en-1-yl]tricosa-18,22-dien-11-one
CID 162998459
9,13-Pentadecadien-2-one, 6,10,14-trimethyl-, (E)-
CID 5363413
Heptaprenylcycline B
CID 102299183
cugibberosene A
CID 163164303
(2S,3R,5S)-2-methyl-5-prop-1-en-2-yl-3-trimethylsilylcyclohexan-1-one
CID 11615516
3-[(E)-1-trimethylsilylprop-1-enyl]cyclohexan-1-one
CID 101625787
1-[3-(Trimethylsilylmethyl)cyclohex-3-en-1-yl]ethanone
CID 12563465

Frequently Asked Questions

What is the IUPAC name of 3-(7-methyl-3-methylidene-1-trimethylsilyloct-6-en-2-yl)cyclohexan-1-one?
The IUPAC name of 3-(7-methyl-3-methylidene-1-trimethylsilyloct-6-en-2-yl)cyclohexan-1-one (CID 102064415) is 3-(7-methyl-3-methylidene-1-trimethylsilyloct-6-en-2-yl)cyclohexan-1-one.
What is the SMILES notation for 3-(7-methyl-3-methylidene-1-trimethylsilyloct-6-en-2-yl)cyclohexan-1-one?
The canonical SMILES for 3-(7-methyl-3-methylidene-1-trimethylsilyloct-6-en-2-yl)cyclohexan-1-one is C=C(CCC=C(C)C)C(C[Si](C)(C)C)C1CCCC(=O)C1.
What is the InChIKey of 3-(7-methyl-3-methylidene-1-trimethylsilyloct-6-en-2-yl)cyclohexan-1-one?
The InChIKey is AONPXOGOSNOJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34OSi/c1-15(2)9-7-10-16(3)19(14-21(4,5)6)17-11-8-12-18(20)13-17/h9,17,19H,3,7-8,10-14H2,1-2,4-6H3.
What are the key properties of 3-(7-methyl-3-methylidene-1-trimethylsilyloct-6-en-2-yl)cyclohexan-1-one?
3-(7-methyl-3-methylidene-1-trimethylsilyloct-6-en-2-yl)cyclohexan-1-one has a molecular weight of 306.57 g/mol, XLogP of 6.00, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyl-3-methylidene-1-trimethylsilyloct-6-en-2-yl)cyclohexan-1-one is sourced from PubChem (CID 102064415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).