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

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

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Related Compounds

(5S)-10-methyl-7-propan-2-yl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione
CID 117997200
4-(2-Methyl-1,3-dioxolan-2-yl)cyclohexa-3,5-diene-1,2-dione
CID 11275564
7'-methylspiro[1,3-dioxolane-2,6'-2,3-dihydro-1H-indene]-4,5'-dione
CID 14588371
3-Methoxy-5-(2-methyl-1,3-dioxolan-2-yl)cyclohexa-3,5-diene-1,2-dione
CID 16059056
(3R,5R)-3,9-ditert-butyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-one
CID 101860122
5-Ethyl-6,6-dimethoxycyclohexa-2,4-dien-1-one
CID 101899226
(3R,5S)-3,9-ditert-butyl-1,4-dioxaspiro[4.5]deca-7,9-dien-6-one
CID 134998806
(5S)-8,10-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-diene-3,6-dione
CID 162401657
9,10-Dipropyl-1,4-dioxaspiro[4.5]deca-7,9-diene-2,6-dione
CID 13158335
7,10-Dipropyl-1,4-dioxaspiro[4.5]deca-7,9-diene-2,6-dione
CID 15024727
7,9-Dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 11105945
(3aS,6aS)-2,2,6-trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
CID 11147943

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).