1-(3,4-dimethylcyclohexyl)oxy-1-methylsilolane

C13H26OSi — CID 598017

IUPAC1-(3,4-dimethylcyclohexyl)oxy-1-methylsilolane
SMILESCC1CCC(O[Si]2(C)CCCC2)CC1C
InChIInChI=1S/C13H26OSi/c1-11-6-7-13(10-12(11)2)14-15(3)8-4-5-9-15/h11-13H,4-10H2,1-3H3
InChIKeyRCPAAUGEJVCXBK-UHFFFAOYSA-N
MW226.44 g/mol
LogP4.20
Rot. Bonds2

About 1-(3,4-dimethylcyclohexyl)oxy-1-methylsilolane

1-(3,4-dimethylcyclohexyl)oxy-1-methylsilolane (PubChem CID 598017) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)oxy-1-methylsilolane.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)oxy-1-methylsilolane
PubChem CID598017
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name1-(3,4-dimethylcyclohexyl)oxy-1-methylsilolane
SMILESCC1CCC(O[Si]2(C)CCCC2)CC1C
InChIInChI=1S/C13H26OSi/c1-11-6-7-13(10-12(11)2)14-15(3)8-4-5-9-15/h11-13H,4-10H2,1-3H3
InChIKeyRCPAAUGEJVCXBK-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.20
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 1-(3,4-dimethylcyclohexyl)oxy-1-methylsilolane?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)oxy-1-methylsilolane (CID 598017) is 1-(3,4-dimethylcyclohexyl)oxy-1-methylsilolane.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)oxy-1-methylsilolane?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)oxy-1-methylsilolane is CC1CCC(O[Si]2(C)CCCC2)CC1C.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)oxy-1-methylsilolane?
The InChIKey is RCPAAUGEJVCXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OSi/c1-11-6-7-13(10-12(11)2)14-15(3)8-4-5-9-15/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)oxy-1-methylsilolane?
1-(3,4-dimethylcyclohexyl)oxy-1-methylsilolane has a molecular weight of 226.44 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)oxy-1-methylsilolane is sourced from PubChem (CID 598017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).