7,7,9-trimethyl-1-oxaspiro[4.5]dec-3-ene

C12H20O — CID 68980472

IUPAC7,7,9-trimethyl-1-oxaspiro[4.5]dec-3-ene
SMILESCC1CC(C)(C)CC2(C=CCO2)C1
InChIInChI=1S/C12H20O/c1-10-7-11(2,3)9-12(8-10)5-4-6-13-12/h4-5,10H,6-9H2,1-3H3
InChIKeyDMOQRBFOJUBIPW-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.16
Rot. Bonds

About 7,7,9-trimethyl-1-oxaspiro[4.5]dec-3-ene

7,7,9-trimethyl-1-oxaspiro[4.5]dec-3-ene (PubChem CID 68980472) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 7,7,9-trimethyl-1-oxaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name7,7,9-trimethyl-1-oxaspiro[4.5]dec-3-ene
PubChem CID68980472
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name7,7,9-trimethyl-1-oxaspiro[4.5]dec-3-ene
SMILESCC1CC(C)(C)CC2(C=CCO2)C1
InChIInChI=1S/C12H20O/c1-10-7-11(2,3)9-12(8-10)5-4-6-13-12/h4-5,10H,6-9H2,1-3H3
InChIKeyDMOQRBFOJUBIPW-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
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 7,7,9-trimethyl-1-oxaspiro[4.5]dec-3-ene?
The IUPAC name of 7,7,9-trimethyl-1-oxaspiro[4.5]dec-3-ene (CID 68980472) is 7,7,9-trimethyl-1-oxaspiro[4.5]dec-3-ene.
What is the SMILES notation for 7,7,9-trimethyl-1-oxaspiro[4.5]dec-3-ene?
The canonical SMILES for 7,7,9-trimethyl-1-oxaspiro[4.5]dec-3-ene is CC1CC(C)(C)CC2(C=CCO2)C1.
What is the InChIKey of 7,7,9-trimethyl-1-oxaspiro[4.5]dec-3-ene?
The InChIKey is DMOQRBFOJUBIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-10-7-11(2,3)9-12(8-10)5-4-6-13-12/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 7,7,9-trimethyl-1-oxaspiro[4.5]dec-3-ene?
7,7,9-trimethyl-1-oxaspiro[4.5]dec-3-ene has a molecular weight of 180.29 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,9-trimethyl-1-oxaspiro[4.5]dec-3-ene is sourced from PubChem (CID 68980472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).