3,9-dimethylspiro[5.5]undecane

C13H24 — CID 20825106

IUPAC3,9-dimethylspiro[5.5]undecane
SMILESCC1CCC2(CC1)CCC(C)CC2
InChIInChI=1S/C13H24/c1-11-3-7-13(8-4-11)9-5-12(2)6-10-13/h11-12H,3-10H2,1-2H3
InChIKeyQSWPISOHYNDTGI-UHFFFAOYSA-N
MW180.34 g/mol
LogP4.39
Rot. Bonds

About 3,9-dimethylspiro[5.5]undecane

3,9-dimethylspiro[5.5]undecane (PubChem CID 20825106) has the molecular formula C13H24 and a molecular weight of 180.34 g/mol. Its IUPAC name is 3,9-dimethylspiro[5.5]undecane.

Molecular Properties

Compound Name3,9-dimethylspiro[5.5]undecane
PubChem CID20825106
Molecular FormulaC13H24
Molecular Weight180.34 g/mol
Exact Mass180.19
IUPAC Name3,9-dimethylspiro[5.5]undecane
SMILESCC1CCC2(CC1)CCC(C)CC2
InChIInChI=1S/C13H24/c1-11-3-7-13(8-4-11)9-5-12(2)6-10-13/h11-12H,3-10H2,1-2H3
InChIKeyQSWPISOHYNDTGI-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 ≤ 500180.34
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,9-dimethylspiro[5.5]undecane?
The IUPAC name of 3,9-dimethylspiro[5.5]undecane (CID 20825106) is 3,9-dimethylspiro[5.5]undecane.
What is the SMILES notation for 3,9-dimethylspiro[5.5]undecane?
The canonical SMILES for 3,9-dimethylspiro[5.5]undecane is CC1CCC2(CC1)CCC(C)CC2.
What is the InChIKey of 3,9-dimethylspiro[5.5]undecane?
The InChIKey is QSWPISOHYNDTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-11-3-7-13(8-4-11)9-5-12(2)6-10-13/h11-12H,3-10H2,1-2H3.
What are the key properties of 3,9-dimethylspiro[5.5]undecane?
3,9-dimethylspiro[5.5]undecane has a molecular weight of 180.34 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 3,9-dimethylspiro[5.5]undecane is sourced from PubChem (CID 20825106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).