10,10-dimethylspiro[5.5]undec-3-ene

C13H22 — CID 141056322

IUPAC10,10-dimethylspiro[5.5]undec-3-ene
SMILESCC1(C)CCCC2(CC=CCC2)C1
InChIInChI=1S/C13H22/c1-12(2)7-6-10-13(11-12)8-4-3-5-9-13/h3-4H,5-11H2,1-2H3
InChIKeyQTBAJOCGRMMIEO-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.31
Rot. Bonds

About 10,10-dimethylspiro[5.5]undec-3-ene

10,10-dimethylspiro[5.5]undec-3-ene (PubChem CID 141056322) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 10,10-dimethylspiro[5.5]undec-3-ene.

Molecular Properties

Compound Name10,10-dimethylspiro[5.5]undec-3-ene
PubChem CID141056322
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name10,10-dimethylspiro[5.5]undec-3-ene
SMILESCC1(C)CCCC2(CC=CCC2)C1
InChIInChI=1S/C13H22/c1-12(2)7-6-10-13(11-12)8-4-3-5-9-13/h3-4H,5-11H2,1-2H3
InChIKeyQTBAJOCGRMMIEO-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethylspiro[5.5]undec-3-ene?
The IUPAC name of 10,10-dimethylspiro[5.5]undec-3-ene (CID 141056322) is 10,10-dimethylspiro[5.5]undec-3-ene.
What is the SMILES notation for 10,10-dimethylspiro[5.5]undec-3-ene?
The canonical SMILES for 10,10-dimethylspiro[5.5]undec-3-ene is CC1(C)CCCC2(CC=CCC2)C1.
What is the InChIKey of 10,10-dimethylspiro[5.5]undec-3-ene?
The InChIKey is QTBAJOCGRMMIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-12(2)7-6-10-13(11-12)8-4-3-5-9-13/h3-4H,5-11H2,1-2H3.
What are the key properties of 10,10-dimethylspiro[5.5]undec-3-ene?
10,10-dimethylspiro[5.5]undec-3-ene has a molecular weight of 178.32 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethylspiro[5.5]undec-3-ene is sourced from PubChem (CID 141056322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).