2-methylcyclohexan-1-one;trimethyl-(2-methylcyclohexen-1-yl)oxysilane;trimethyl(2-methylprop-2-enyl)silane

C24H48O2Si2 — CID 158499932

IUPAC2-methylcyclohexan-1-one;trimethyl-(2-methylcyclohexen-1-yl)oxysilane;trimethyl(2-methylprop-2-enyl)silane
SMILESC=C(C)C[Si](C)(C)C.CC1=C(O[Si](C)(C)C)CCCC1.CC1CCCCC1=O
InChIInChI=1S/C10H20OSi.C7H12O.C7H16Si/c1-9-7-5-6-8-10(9)11-12(2,3)4;1-6-4-2-3-5-7(6)8;1-7(2)6-8(3,4)5/h5-8H2,1-4H3;6H,2-5H2,1H3;1,6H2,2-5H3
InChIKeyHJTMOECOKZDESY-UHFFFAOYSA-N
MW424.82 g/mol
LogP8.35
Rot. Bonds4

About 2-methylcyclohexan-1-one;trimethyl-(2-methylcyclohexen-1-yl)oxysilane;trimethyl(2-methylprop-2-enyl)silane

2-methylcyclohexan-1-one;trimethyl-(2-methylcyclohexen-1-yl)oxysilane;trimethyl(2-methylprop-2-enyl)silane (PubChem CID 158499932) has the molecular formula C24H48O2Si2 and a molecular weight of 424.82 g/mol. Its IUPAC name is 2-methylcyclohexan-1-one;trimethyl-(2-methylcyclohexen-1-yl)oxysilane;trimethyl(2-methylprop-2-enyl)silane.

Molecular Properties

Compound Name2-methylcyclohexan-1-one;trimethyl-(2-methylcyclohexen-1-yl)oxysilane;trimethyl(2-methylprop-2-enyl)silane
PubChem CID158499932
Molecular FormulaC24H48O2Si2
Molecular Weight424.82 g/mol
Exact Mass424.32
IUPAC Name2-methylcyclohexan-1-one;trimethyl-(2-methylcyclohexen-1-yl)oxysilane;trimethyl(2-methylprop-2-enyl)silane
SMILESC=C(C)C[Si](C)(C)C.CC1=C(O[Si](C)(C)C)CCCC1.CC1CCCCC1=O
InChIInChI=1S/C10H20OSi.C7H12O.C7H16Si/c1-9-7-5-6-8-10(9)11-12(2,3)4;1-6-4-2-3-5-7(6)8;1-7(2)6-8(3,4)5/h5-8H2,1-4H3;6H,2-5H2,1H3;1,6H2,2-5H3
InChIKeyHJTMOECOKZDESY-UHFFFAOYSA-N
XLogP8.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.82
LogP ≤ 58.35
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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Frequently Asked Questions

What is the IUPAC name of 2-methylcyclohexan-1-one;trimethyl-(2-methylcyclohexen-1-yl)oxysilane;trimethyl(2-methylprop-2-enyl)silane?
The IUPAC name of 2-methylcyclohexan-1-one;trimethyl-(2-methylcyclohexen-1-yl)oxysilane;trimethyl(2-methylprop-2-enyl)silane (CID 158499932) is 2-methylcyclohexan-1-one;trimethyl-(2-methylcyclohexen-1-yl)oxysilane;trimethyl(2-methylprop-2-enyl)silane.
What is the SMILES notation for 2-methylcyclohexan-1-one;trimethyl-(2-methylcyclohexen-1-yl)oxysilane;trimethyl(2-methylprop-2-enyl)silane?
The canonical SMILES for 2-methylcyclohexan-1-one;trimethyl-(2-methylcyclohexen-1-yl)oxysilane;trimethyl(2-methylprop-2-enyl)silane is C=C(C)C[Si](C)(C)C.CC1=C(O[Si](C)(C)C)CCCC1.CC1CCCCC1=O.
What is the InChIKey of 2-methylcyclohexan-1-one;trimethyl-(2-methylcyclohexen-1-yl)oxysilane;trimethyl(2-methylprop-2-enyl)silane?
The InChIKey is HJTMOECOKZDESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OSi.C7H12O.C7H16Si/c1-9-7-5-6-8-10(9)11-12(2,3)4;1-6-4-2-3-5-7(6)8;1-7(2)6-8(3,4)5/h5-8H2,1-4H3;6H,2-5H2,1H3;1,6H2,2-5H3.
What are the key properties of 2-methylcyclohexan-1-one;trimethyl-(2-methylcyclohexen-1-yl)oxysilane;trimethyl(2-methylprop-2-enyl)silane?
2-methylcyclohexan-1-one;trimethyl-(2-methylcyclohexen-1-yl)oxysilane;trimethyl(2-methylprop-2-enyl)silane has a molecular weight of 424.82 g/mol, XLogP of 8.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylcyclohexan-1-one;trimethyl-(2-methylcyclohexen-1-yl)oxysilane;trimethyl(2-methylprop-2-enyl)silane is sourced from PubChem (CID 158499932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).