7,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-one

C10H12O3 — CID 51050608

IUPAC7,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-one
SMILESCC1=CC=C(C)C2(OCCO2)C1=O
InChIInChI=1S/C10H12O3/c1-7-3-4-8(2)10(9(7)11)12-5-6-13-10/h3-4H,5-6H2,1-2H3
InChIKeyONNRBLLRFQJFIY-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.20
Rot. Bonds

About 7,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-one

7,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-one (PubChem CID 51050608) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 7,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-one.

Molecular Properties

Compound Name7,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-one
PubChem CID51050608
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name7,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-one
SMILESCC1=CC=C(C)C2(OCCO2)C1=O
InChIInChI=1S/C10H12O3/c1-7-3-4-8(2)10(9(7)11)12-5-6-13-10/h3-4H,5-6H2,1-2H3
InChIKeyONNRBLLRFQJFIY-UHFFFAOYSA-N
XLogP1.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-one?
The IUPAC name of 7,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-one (CID 51050608) is 7,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-one.
What is the SMILES notation for 7,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-one?
The canonical SMILES for 7,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-one is CC1=CC=C(C)C2(OCCO2)C1=O.
What is the InChIKey of 7,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-one?
The InChIKey is ONNRBLLRFQJFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-7-3-4-8(2)10(9(7)11)12-5-6-13-10/h3-4H,5-6H2,1-2H3.
What are the key properties of 7,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-one?
7,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-one has a molecular weight of 180.20 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-one is sourced from PubChem (CID 51050608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).