2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one

C10H12O3 — CID 10012513

IUPAC2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
SMILESCC1OC2(C=CC(=O)C=C2)OC1C
InChIInChI=1S/C10H12O3/c1-7-8(2)13-10(12-7)5-3-9(11)4-6-10/h3-8H,1-2H3
InChIKeyPKEIDHDAQJKTAS-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.20
Rot. Bonds

About 2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one

2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one (PubChem CID 10012513) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one.

Molecular Properties

Compound Name2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
PubChem CID10012513
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
SMILESCC1OC2(C=CC(=O)C=C2)OC1C
InChIInChI=1S/C10H12O3/c1-7-8(2)13-10(12-7)5-3-9(11)4-6-10/h3-8H,1-2H3
InChIKeyPKEIDHDAQJKTAS-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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Related Compounds

1,4-Dioxaspiro(4.5)deca-6,9-dien-8-one
CID 592339
(S,E)-Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
CID 6364657
Ethyl (R)-(-)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-trans-2-propenoate
CID 7269394
Methyl (S)-(+)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-trans-2-propenoate
CID 10921229
(S,Z)-Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
CID 11367648
1,4-Dioxaspiro[4.5]deca-6,9-dien-8-one, 7-methoxy-
CID 556647
Methyl (S)-(+)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-cis-2-propenoate
CID 10012651
Ethyl (S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
CID 2724857
(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enal
CID 11159449
4-(2,2-Dimethyl-1,3-dioxolan-4-yl)but-3-en-2-one
CID 12861738
4-Methoxy-4-[(propan-2-yl)oxy]cyclohexa-2,5-dien-1-one
CID 12935901
(E)-3-(2,2-Dimethyl-[1,3]dioxolan-4-YL)-acrylic acid ethyl ester
CID 5363635

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The IUPAC name of 2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one (CID 10012513) is 2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one.
What is the SMILES notation for 2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The canonical SMILES for 2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one is CC1OC2(C=CC(=O)C=C2)OC1C.
What is the InChIKey of 2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The InChIKey is PKEIDHDAQJKTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-7-8(2)13-10(12-7)5-3-9(11)4-6-10/h3-8H,1-2H3.
What are the key properties of 2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-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 2,3-dimethyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one is sourced from PubChem (CID 10012513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).