11,11-dimethyltetracyclo[5.3.1.03,9.05,9]undecane

C13H20 — CID 162243036

IUPAC11,11-dimethyltetracyclo[5.3.1.03,9.05,9]undecane
SMILESCC1(C)C2CC3CC4CC1CC34C2
InChIInChI=1S/C13H20/c1-12(2)10-4-8-3-9-5-11(12)7-13(8,9)6-10/h8-11H,3-7H2,1-2H3
InChIKeyOIIFGLAUPLNVTC-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.47
Rot. Bonds

About 11,11-dimethyltetracyclo[5.3.1.03,9.05,9]undecane

11,11-dimethyltetracyclo[5.3.1.03,9.05,9]undecane (PubChem CID 162243036) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 11,11-dimethyltetracyclo[5.3.1.03,9.05,9]undecane.

Molecular Properties

Compound Name11,11-dimethyltetracyclo[5.3.1.03,9.05,9]undecane
PubChem CID162243036
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name11,11-dimethyltetracyclo[5.3.1.03,9.05,9]undecane
SMILESCC1(C)C2CC3CC4CC1CC34C2
InChIInChI=1S/C13H20/c1-12(2)10-4-8-3-9-5-11(12)7-13(8,9)6-10/h8-11H,3-7H2,1-2H3
InChIKeyOIIFGLAUPLNVTC-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2,2-dimethyladamantane;ethane
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CID 178032478
11,12-dimethylidenetetracyclo[5.3.2.03,9.05,9]dodecane
CID 123450547
1-methyltetracyclo[5.3.1.03,9.05,9]undecane
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Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyltetracyclo[5.3.1.03,9.05,9]undecane?
The IUPAC name of 11,11-dimethyltetracyclo[5.3.1.03,9.05,9]undecane (CID 162243036) is 11,11-dimethyltetracyclo[5.3.1.03,9.05,9]undecane.
What is the SMILES notation for 11,11-dimethyltetracyclo[5.3.1.03,9.05,9]undecane?
The canonical SMILES for 11,11-dimethyltetracyclo[5.3.1.03,9.05,9]undecane is CC1(C)C2CC3CC4CC1CC34C2.
What is the InChIKey of 11,11-dimethyltetracyclo[5.3.1.03,9.05,9]undecane?
The InChIKey is OIIFGLAUPLNVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-12(2)10-4-8-3-9-5-11(12)7-13(8,9)6-10/h8-11H,3-7H2,1-2H3.
What are the key properties of 11,11-dimethyltetracyclo[5.3.1.03,9.05,9]undecane?
11,11-dimethyltetracyclo[5.3.1.03,9.05,9]undecane has a molecular weight of 176.30 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyltetracyclo[5.3.1.03,9.05,9]undecane is sourced from PubChem (CID 162243036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).