4,11-dimethylspiro[5.5]undecane

C13H24 — CID 565330

IUPAC4,11-dimethylspiro[5.5]undecane
SMILESCC1CCCC2(CCCCC2C)C1
InChIInChI=1S/C13H24/c1-11-6-5-9-13(10-11)8-4-3-7-12(13)2/h11-12H,3-10H2,1-2H3
InChIKeyWFOZHZSOMWQAOE-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.39
Rot. Bonds

About 4,11-dimethylspiro[5.5]undecane

4,11-dimethylspiro[5.5]undecane (PubChem CID 565330) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 4,11-dimethylspiro[5.5]undecane.

Molecular Properties

Compound Name4,11-dimethylspiro[5.5]undecane
PubChem CID565330
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name4,11-dimethylspiro[5.5]undecane
SMILESCC1CCCC2(CCCCC2C)C1
InChIInChI=1S/C13H24/c1-11-6-5-9-13(10-11)8-4-3-7-12(13)2/h11-12H,3-10H2,1-2H3
InChIKeyWFOZHZSOMWQAOE-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Pinane
CID 10129
Pinane, cis-(+)-
CID 10953595
1,1,2-Trimethylcyclohexane
CID 35363
1,2,3-Trimethylcyclohexane
CID 15507
Decahydro-1-methylnaphthalene
CID 34193
cis-Pinane
CID 10969850
(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptane
CID 17755566
(+-)-cis-Pinane
CID 6429433
tert-Butylcyclohexane
CID 18508
(1R,2R,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptane
CID 11051725
Cyclohexane, 1-(cyclohexylmethyl)-2-methyl-, cis-
CID 143210
2,2-Dicyclohexylpropane
CID 143230

Frequently Asked Questions

What is the IUPAC name of 4,11-dimethylspiro[5.5]undecane?
The IUPAC name of 4,11-dimethylspiro[5.5]undecane (CID 565330) is 4,11-dimethylspiro[5.5]undecane.
What is the SMILES notation for 4,11-dimethylspiro[5.5]undecane?
The canonical SMILES for 4,11-dimethylspiro[5.5]undecane is CC1CCCC2(CCCCC2C)C1.
What is the InChIKey of 4,11-dimethylspiro[5.5]undecane?
The InChIKey is WFOZHZSOMWQAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-11-6-5-9-13(10-11)8-4-3-7-12(13)2/h11-12H,3-10H2,1-2H3.
What are the key properties of 4,11-dimethylspiro[5.5]undecane?
4,11-dimethylspiro[5.5]undecane has a molecular weight of 180.33 g/mol, XLogP of 4.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-dimethylspiro[5.5]undecane is sourced from PubChem (CID 565330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).