6,6,10-trimethyl-1-oxaspiro[4.5]deca-3,9-diene

C12H18O — CID 14086341

IUPAC6,6,10-trimethyl-1-oxaspiro[4.5]deca-3,9-diene
SMILESCC1=CCCC(C)(C)C12C=CCO2
InChIInChI=1S/C12H18O/c1-10-6-4-7-11(2,3)12(10)8-5-9-13-12/h5-6,8H,4,7,9H2,1-3H3
InChIKeyPRIDVIDVTAARIY-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.08
Rot. Bonds

About 6,6,10-trimethyl-1-oxaspiro[4.5]deca-3,9-diene

6,6,10-trimethyl-1-oxaspiro[4.5]deca-3,9-diene (PubChem CID 14086341) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 6,6,10-trimethyl-1-oxaspiro[4.5]deca-3,9-diene.

Molecular Properties

Compound Name6,6,10-trimethyl-1-oxaspiro[4.5]deca-3,9-diene
PubChem CID14086341
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name6,6,10-trimethyl-1-oxaspiro[4.5]deca-3,9-diene
SMILESCC1=CCCC(C)(C)C12C=CCO2
InChIInChI=1S/C12H18O/c1-10-6-4-7-11(2,3)12(10)8-5-9-13-12/h5-6,8H,4,7,9H2,1-3H3
InChIKeyPRIDVIDVTAARIY-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 6,6,10-trimethyl-1-oxaspiro[4.5]deca-3,9-diene?
The IUPAC name of 6,6,10-trimethyl-1-oxaspiro[4.5]deca-3,9-diene (CID 14086341) is 6,6,10-trimethyl-1-oxaspiro[4.5]deca-3,9-diene.
What is the SMILES notation for 6,6,10-trimethyl-1-oxaspiro[4.5]deca-3,9-diene?
The canonical SMILES for 6,6,10-trimethyl-1-oxaspiro[4.5]deca-3,9-diene is CC1=CCCC(C)(C)C12C=CCO2.
What is the InChIKey of 6,6,10-trimethyl-1-oxaspiro[4.5]deca-3,9-diene?
The InChIKey is PRIDVIDVTAARIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-10-6-4-7-11(2,3)12(10)8-5-9-13-12/h5-6,8H,4,7,9H2,1-3H3.
What are the key properties of 6,6,10-trimethyl-1-oxaspiro[4.5]deca-3,9-diene?
6,6,10-trimethyl-1-oxaspiro[4.5]deca-3,9-diene has a molecular weight of 178.27 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,10-trimethyl-1-oxaspiro[4.5]deca-3,9-diene is sourced from PubChem (CID 14086341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).