2-methyl-4-(4-propylcyclohexyl)cyclohexan-1-one;trimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane

C35H64O2Si — CID 159929798

IUPAC2-methyl-4-(4-propylcyclohexyl)cyclohexan-1-one;trimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane
SMILESCCCC1CCC(C2CCC(=O)C(C)C2)CC1.CCCC1CCC(C2CCC(O[Si](C)(C)C)=C(C)C2)CC1
InChIInChI=1S/C19H36OSi.C16H28O/c1-6-7-16-8-10-17(11-9-16)18-12-13-19(15(2)14-18)20-21(3,4)5;1-3-4-13-5-7-14(8-6-13)15-9-10-16(17)12(2)11-15/h16-18H,6-14H2,1-5H3;12-15H,3-11H2,1-2H3
InChIKeyNZMKTIRYPVWMCG-UHFFFAOYSA-N
MW544.98 g/mol
LogP11.12
Rot. Bonds8

About 2-methyl-4-(4-propylcyclohexyl)cyclohexan-1-one;trimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane

2-methyl-4-(4-propylcyclohexyl)cyclohexan-1-one;trimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane (PubChem CID 159929798) has the molecular formula C35H64O2Si and a molecular weight of 544.98 g/mol. Its IUPAC name is 2-methyl-4-(4-propylcyclohexyl)cyclohexan-1-one;trimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane.

Molecular Properties

Compound Name2-methyl-4-(4-propylcyclohexyl)cyclohexan-1-one;trimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane
PubChem CID159929798
Molecular FormulaC35H64O2Si
Molecular Weight544.98 g/mol
Exact Mass544.47
IUPAC Name2-methyl-4-(4-propylcyclohexyl)cyclohexan-1-one;trimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane
SMILESCCCC1CCC(C2CCC(=O)C(C)C2)CC1.CCCC1CCC(C2CCC(O[Si](C)(C)C)=C(C)C2)CC1
InChIInChI=1S/C19H36OSi.C16H28O/c1-6-7-16-8-10-17(11-9-16)18-12-13-19(15(2)14-18)20-21(3,4)5;1-3-4-13-5-7-14(8-6-13)15-9-10-16(17)12(2)11-15/h16-18H,6-14H2,1-5H3;12-15H,3-11H2,1-2H3
InChIKeyNZMKTIRYPVWMCG-UHFFFAOYSA-N
XLogP11.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.98
LogP ≤ 511.12
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 2-methyl-4-(4-propylcyclohexyl)cyclohexan-1-one;trimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane?
The IUPAC name of 2-methyl-4-(4-propylcyclohexyl)cyclohexan-1-one;trimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane (CID 159929798) is 2-methyl-4-(4-propylcyclohexyl)cyclohexan-1-one;trimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane.
What is the SMILES notation for 2-methyl-4-(4-propylcyclohexyl)cyclohexan-1-one;trimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane?
The canonical SMILES for 2-methyl-4-(4-propylcyclohexyl)cyclohexan-1-one;trimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane is CCCC1CCC(C2CCC(=O)C(C)C2)CC1.CCCC1CCC(C2CCC(O[Si](C)(C)C)=C(C)C2)CC1.
What is the InChIKey of 2-methyl-4-(4-propylcyclohexyl)cyclohexan-1-one;trimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane?
The InChIKey is NZMKTIRYPVWMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36OSi.C16H28O/c1-6-7-16-8-10-17(11-9-16)18-12-13-19(15(2)14-18)20-21(3,4)5;1-3-4-13-5-7-14(8-6-13)15-9-10-16(17)12(2)11-15/h16-18H,6-14H2,1-5H3;12-15H,3-11H2,1-2H3.
What are the key properties of 2-methyl-4-(4-propylcyclohexyl)cyclohexan-1-one;trimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane?
2-methyl-4-(4-propylcyclohexyl)cyclohexan-1-one;trimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane has a molecular weight of 544.98 g/mol, XLogP of 11.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-propylcyclohexyl)cyclohexan-1-one;trimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane is sourced from PubChem (CID 159929798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).