3,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-2-one

C13H18O2 — CID 591522

IUPAC3,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-2-one
SMILESCC1=CC2(OC1=O)C(C)=CCCC2(C)C
InChIInChI=1S/C13H18O2/c1-9-8-13(15-11(9)14)10(2)6-5-7-12(13,3)4/h6,8H,5,7H2,1-4H3
InChIKeyNVDVQRSRXNFOIW-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.99
Rot. Bonds

About 3,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-2-one

3,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-2-one (PubChem CID 591522) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-2-one.

Molecular Properties

Compound Name3,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-2-one
PubChem CID591522
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name3,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-2-one
SMILESCC1=CC2(OC1=O)C(C)=CCCC2(C)C
InChIInChI=1S/C13H18O2/c1-9-8-13(15-11(9)14)10(2)6-5-7-12(13,3)4/h6,8H,5,7H2,1-4H3
InChIKeyNVDVQRSRXNFOIW-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-2-one?
The IUPAC name of 3,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-2-one (CID 591522) is 3,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-2-one.
What is the SMILES notation for 3,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-2-one?
The canonical SMILES for 3,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-2-one is CC1=CC2(OC1=O)C(C)=CCCC2(C)C.
What is the InChIKey of 3,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-2-one?
The InChIKey is NVDVQRSRXNFOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-8-13(15-11(9)14)10(2)6-5-7-12(13,3)4/h6,8H,5,7H2,1-4H3.
What are the key properties of 3,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-2-one?
3,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-2-one has a molecular weight of 206.28 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-2-one is sourced from PubChem (CID 591522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).