1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexan-1-ol;[1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexyl]oxy-trimethylsilane

C33H64O2Si — CID 90721009

IUPAC1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexan-1-ol;[1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexyl]oxy-trimethylsilane
SMILESCC1CCC(C2CCC(C)C(C)(O)C2)CC1.CC1CCC(C2CCC(C)C(C)(O[Si](C)(C)C)C2)CC1
InChIInChI=1S/C18H36OSi.C15H28O/c1-14-7-10-16(11-8-14)17-12-9-15(2)18(3,13-17)19-20(4,5)6;1-11-4-7-13(8-5-11)14-9-6-12(2)15(3,16)10-14/h14-17H,7-13H2,1-6H3;11-14,16H,4-10H2,1-3H3
InChIKeyOSDWWIKAJDWDFM-UHFFFAOYSA-N
MW520.96 g/mol
LogP9.86
Rot. Bonds4

About 1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexan-1-ol;[1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexyl]oxy-trimethylsilane

1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexan-1-ol;[1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexyl]oxy-trimethylsilane (PubChem CID 90721009) has the molecular formula C33H64O2Si and a molecular weight of 520.96 g/mol. Its IUPAC name is 1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexan-1-ol;[1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexyl]oxy-trimethylsilane.

Molecular Properties

Compound Name1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexan-1-ol;[1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexyl]oxy-trimethylsilane
PubChem CID90721009
Molecular FormulaC33H64O2Si
Molecular Weight520.96 g/mol
Exact Mass520.47
IUPAC Name1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexan-1-ol;[1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexyl]oxy-trimethylsilane
SMILESCC1CCC(C2CCC(C)C(C)(O)C2)CC1.CC1CCC(C2CCC(C)C(C)(O[Si](C)(C)C)C2)CC1
InChIInChI=1S/C18H36OSi.C15H28O/c1-14-7-10-16(11-8-14)17-12-9-15(2)18(3,13-17)19-20(4,5)6;1-11-4-7-13(8-5-11)14-9-6-12(2)15(3,16)10-14/h14-17H,7-13H2,1-6H3;11-14,16H,4-10H2,1-3H3
InChIKeyOSDWWIKAJDWDFM-UHFFFAOYSA-N
XLogP9.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.96
LogP ≤ 59.86
H-Bond Donors ≤ 51
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 1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexan-1-ol;[1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexyl]oxy-trimethylsilane?
The IUPAC name of 1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexan-1-ol;[1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexyl]oxy-trimethylsilane (CID 90721009) is 1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexan-1-ol;[1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexyl]oxy-trimethylsilane.
What is the SMILES notation for 1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexan-1-ol;[1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexyl]oxy-trimethylsilane?
The canonical SMILES for 1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexan-1-ol;[1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexyl]oxy-trimethylsilane is CC1CCC(C2CCC(C)C(C)(O)C2)CC1.CC1CCC(C2CCC(C)C(C)(O[Si](C)(C)C)C2)CC1.
What is the InChIKey of 1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexan-1-ol;[1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexyl]oxy-trimethylsilane?
The InChIKey is OSDWWIKAJDWDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36OSi.C15H28O/c1-14-7-10-16(11-8-14)17-12-9-15(2)18(3,13-17)19-20(4,5)6;1-11-4-7-13(8-5-11)14-9-6-12(2)15(3,16)10-14/h14-17H,7-13H2,1-6H3;11-14,16H,4-10H2,1-3H3.
What are the key properties of 1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexan-1-ol;[1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexyl]oxy-trimethylsilane?
1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexan-1-ol;[1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexyl]oxy-trimethylsilane has a molecular weight of 520.96 g/mol, XLogP of 9.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexan-1-ol;[1,2-dimethyl-5-(4-methylcyclohexyl)cyclohexyl]oxy-trimethylsilane is sourced from PubChem (CID 90721009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).