6,6,10-trimethyl-1-oxaspiro[4.5]dec-9-ene

C12H20O — CID 14086334

IUPAC6,6,10-trimethyl-1-oxaspiro[4.5]dec-9-ene
SMILESCC1=CCCC(C)(C)C12CCCO2
InChIInChI=1S/C12H20O/c1-10-6-4-7-11(2,3)12(10)8-5-9-13-12/h6H,4-5,7-9H2,1-3H3
InChIKeyFYPSGWDHSVVPFT-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.30
Rot. Bonds

About 6,6,10-trimethyl-1-oxaspiro[4.5]dec-9-ene

6,6,10-trimethyl-1-oxaspiro[4.5]dec-9-ene (PubChem CID 14086334) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 6,6,10-trimethyl-1-oxaspiro[4.5]dec-9-ene.

Molecular Properties

Compound Name6,6,10-trimethyl-1-oxaspiro[4.5]dec-9-ene
PubChem CID14086334
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name6,6,10-trimethyl-1-oxaspiro[4.5]dec-9-ene
SMILESCC1=CCCC(C)(C)C12CCCO2
InChIInChI=1S/C12H20O/c1-10-6-4-7-11(2,3)12(10)8-5-9-13-12/h6H,4-5,7-9H2,1-3H3
InChIKeyFYPSGWDHSVVPFT-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.30
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]dec-9-ene?
The IUPAC name of 6,6,10-trimethyl-1-oxaspiro[4.5]dec-9-ene (CID 14086334) is 6,6,10-trimethyl-1-oxaspiro[4.5]dec-9-ene.
What is the SMILES notation for 6,6,10-trimethyl-1-oxaspiro[4.5]dec-9-ene?
The canonical SMILES for 6,6,10-trimethyl-1-oxaspiro[4.5]dec-9-ene is CC1=CCCC(C)(C)C12CCCO2.
What is the InChIKey of 6,6,10-trimethyl-1-oxaspiro[4.5]dec-9-ene?
The InChIKey is FYPSGWDHSVVPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-10-6-4-7-11(2,3)12(10)8-5-9-13-12/h6H,4-5,7-9H2,1-3H3.
What are the key properties of 6,6,10-trimethyl-1-oxaspiro[4.5]dec-9-ene?
6,6,10-trimethyl-1-oxaspiro[4.5]dec-9-ene has a molecular weight of 180.29 g/mol, XLogP of 3.30, 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]dec-9-ene is sourced from PubChem (CID 14086334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).