3-methyl-6-silaspiro[5.5]undecane

C11H22Si — CID 156715345

IUPAC3-methyl-6-silaspiro[5.5]undecane
SMILESCC1CC[Si]2(CCCCC2)CC1
InChIInChI=1S/C11H22Si/c1-11-5-9-12(10-6-11)7-3-2-4-8-12/h11H,2-10H2,1H3
InChIKeyLBDUSETWJUGNSR-UHFFFAOYSA-N
MW182.38 g/mol
LogP4.05
Rot. Bonds

About 3-methyl-6-silaspiro[5.5]undecane

3-methyl-6-silaspiro[5.5]undecane (PubChem CID 156715345) has the molecular formula C11H22Si and a molecular weight of 182.38 g/mol. Its IUPAC name is 3-methyl-6-silaspiro[5.5]undecane.

Molecular Properties

Compound Name3-methyl-6-silaspiro[5.5]undecane
PubChem CID156715345
Molecular FormulaC11H22Si
Molecular Weight182.38 g/mol
Exact Mass182.15
IUPAC Name3-methyl-6-silaspiro[5.5]undecane
SMILESCC1CC[Si]2(CCCCC2)CC1
InChIInChI=1S/C11H22Si/c1-11-5-9-12(10-6-11)7-3-2-4-8-12/h11H,2-10H2,1H3
InChIKeyLBDUSETWJUGNSR-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 3-methyl-6-silaspiro[5.5]undecane?
The IUPAC name of 3-methyl-6-silaspiro[5.5]undecane (CID 156715345) is 3-methyl-6-silaspiro[5.5]undecane.
What is the SMILES notation for 3-methyl-6-silaspiro[5.5]undecane?
The canonical SMILES for 3-methyl-6-silaspiro[5.5]undecane is CC1CC[Si]2(CCCCC2)CC1.
What is the InChIKey of 3-methyl-6-silaspiro[5.5]undecane?
The InChIKey is LBDUSETWJUGNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22Si/c1-11-5-9-12(10-6-11)7-3-2-4-8-12/h11H,2-10H2,1H3.
What are the key properties of 3-methyl-6-silaspiro[5.5]undecane?
3-methyl-6-silaspiro[5.5]undecane has a molecular weight of 182.38 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-silaspiro[5.5]undecane is sourced from PubChem (CID 156715345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).