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

C19H36OSi — CID 140748249

IUPACtrimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane
SMILESCCCC1CCC(C2CCC(O[Si](C)(C)C)=C(C)C2)CC1
InChIInChI=1S/C19H36OSi/c1-6-7-16-8-10-17(11-9-16)18-12-13-19(15(2)14-18)20-21(3,4)5/h16-18H,6-14H2,1-5H3
InChIKeyIIIZKTBGDNOSHT-UHFFFAOYSA-N
MW308.58 g/mol
LogP6.52
Rot. Bonds5

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

trimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane (PubChem CID 140748249) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is trimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane
PubChem CID140748249
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Nametrimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane
SMILESCCCC1CCC(C2CCC(O[Si](C)(C)C)=C(C)C2)CC1
InChIInChI=1S/C19H36OSi/c1-6-7-16-8-10-17(11-9-16)18-12-13-19(15(2)14-18)20-21(3,4)5/h16-18H,6-14H2,1-5H3
InChIKeyIIIZKTBGDNOSHT-UHFFFAOYSA-N
XLogP6.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 56.52
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 trimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane?
The IUPAC name of trimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane (CID 140748249) is trimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane.
What is the SMILES notation for trimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane?
The canonical SMILES for trimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane is CCCC1CCC(C2CCC(O[Si](C)(C)C)=C(C)C2)CC1.
What is the InChIKey of trimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane?
The InChIKey is IIIZKTBGDNOSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36OSi/c1-6-7-16-8-10-17(11-9-16)18-12-13-19(15(2)14-18)20-21(3,4)5/h16-18H,6-14H2,1-5H3.
What are the key properties of trimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane?
trimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane has a molecular weight of 308.58 g/mol, XLogP of 6.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane is sourced from PubChem (CID 140748249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).