4,4-dimethylspiro[4.5]dec-9-ene

C12H20 — CID 102083414

IUPAC4,4-dimethylspiro[4.5]dec-9-ene
SMILESCC1(C)CCCC12C=CCCC2
InChIInChI=1S/C12H20/c1-11(2)7-6-10-12(11)8-4-3-5-9-12/h4,8H,3,5-7,9-10H2,1-2H3
InChIKeyUZKSRSWGCOOPMO-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.92
Rot. Bonds

About 4,4-dimethylspiro[4.5]dec-9-ene

4,4-dimethylspiro[4.5]dec-9-ene (PubChem CID 102083414) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 4,4-dimethylspiro[4.5]dec-9-ene.

Molecular Properties

Compound Name4,4-dimethylspiro[4.5]dec-9-ene
PubChem CID102083414
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name4,4-dimethylspiro[4.5]dec-9-ene
SMILESCC1(C)CCCC12C=CCCC2
InChIInChI=1S/C12H20/c1-11(2)7-6-10-12(11)8-4-3-5-9-12/h4,8H,3,5-7,9-10H2,1-2H3
InChIKeyUZKSRSWGCOOPMO-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.92
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 4,4-dimethylspiro[4.5]dec-9-ene?
The IUPAC name of 4,4-dimethylspiro[4.5]dec-9-ene (CID 102083414) is 4,4-dimethylspiro[4.5]dec-9-ene.
What is the SMILES notation for 4,4-dimethylspiro[4.5]dec-9-ene?
The canonical SMILES for 4,4-dimethylspiro[4.5]dec-9-ene is CC1(C)CCCC12C=CCCC2.
What is the InChIKey of 4,4-dimethylspiro[4.5]dec-9-ene?
The InChIKey is UZKSRSWGCOOPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-11(2)7-6-10-12(11)8-4-3-5-9-12/h4,8H,3,5-7,9-10H2,1-2H3.
What are the key properties of 4,4-dimethylspiro[4.5]dec-9-ene?
4,4-dimethylspiro[4.5]dec-9-ene has a molecular weight of 164.29 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylspiro[4.5]dec-9-ene is sourced from PubChem (CID 102083414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).