1-(3,5-dimethylcyclohexyl)oxy-1-methylsilinane

C14H28OSi — CID 614465

IUPAC1-(3,5-dimethylcyclohexyl)oxy-1-methylsilinane
SMILESCC1CC(C)CC(O[Si]2(C)CCCCC2)C1
InChIInChI=1S/C14H28OSi/c1-12-9-13(2)11-14(10-12)15-16(3)7-5-4-6-8-16/h12-14H,4-11H2,1-3H3
InChIKeyKLFDSNRJGIWYKX-UHFFFAOYSA-N
MW240.46 g/mol
LogP4.59
Rot. Bonds2

About 1-(3,5-dimethylcyclohexyl)oxy-1-methylsilinane

1-(3,5-dimethylcyclohexyl)oxy-1-methylsilinane (PubChem CID 614465) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)oxy-1-methylsilinane.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)oxy-1-methylsilinane
PubChem CID614465
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name1-(3,5-dimethylcyclohexyl)oxy-1-methylsilinane
SMILESCC1CC(C)CC(O[Si]2(C)CCCCC2)C1
InChIInChI=1S/C14H28OSi/c1-12-9-13(2)11-14(10-12)15-16(3)7-5-4-6-8-16/h12-14H,4-11H2,1-3H3
InChIKeyKLFDSNRJGIWYKX-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 54.59
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-(3,5-dimethylcyclohexyl)oxy-1-methylsilinane?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)oxy-1-methylsilinane (CID 614465) is 1-(3,5-dimethylcyclohexyl)oxy-1-methylsilinane.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)oxy-1-methylsilinane?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)oxy-1-methylsilinane is CC1CC(C)CC(O[Si]2(C)CCCCC2)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)oxy-1-methylsilinane?
The InChIKey is KLFDSNRJGIWYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OSi/c1-12-9-13(2)11-14(10-12)15-16(3)7-5-4-6-8-16/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)oxy-1-methylsilinane?
1-(3,5-dimethylcyclohexyl)oxy-1-methylsilinane has a molecular weight of 240.46 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)oxy-1-methylsilinane is sourced from PubChem (CID 614465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).