6,6-dimethoxy-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one

C12H16O5 — CID 11096713

IUPAC6,6-dimethoxy-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one
SMILESCOC1(OC)C=CC=CC12OC(=O)C(C)(C)O2
InChIInChI=1S/C12H16O5/c1-10(2)9(13)16-12(17-10)8-6-5-7-11(12,14-3)15-4/h5-8H,1-4H3
InChIKeyVOAHXHOHIAOFIS-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.15
Rot. Bonds2

About 6,6-dimethoxy-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one

6,6-dimethoxy-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one (PubChem CID 11096713) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 6,6-dimethoxy-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one.

Molecular Properties

Compound Name6,6-dimethoxy-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one
PubChem CID11096713
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name6,6-dimethoxy-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one
SMILESCOC1(OC)C=CC=CC12OC(=O)C(C)(C)O2
InChIInChI=1S/C12H16O5/c1-10(2)9(13)16-12(17-10)8-6-5-7-11(12,14-3)15-4/h5-8H,1-4H3
InChIKeyVOAHXHOHIAOFIS-UHFFFAOYSA-N
XLogP1.15
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3As,7ar)-2,2-dimethyl-7ah-benzo[1,3]dioxole-3a-carboxylic acid methyl ester
CID 10584559
8-Bromo-6,6-dimethoxy-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one
CID 11347722
methyl 2-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]acetate
CID 14381464
methyl 2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]acetate
CID 14381465
ethyl 2-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]acetate
CID 14381467
ethyl 2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]acetate
CID 14381468
propan-2-yl 2-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]acetate
CID 14381470
propan-2-yl 2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]acetate
CID 14381471
tert-butyl 2-[(Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]acetate
CID 14381473
tert-butyl 2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]acetate
CID 14381474
methyl (2R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,6-dihydro-2H-pyran-2-carboxylate
CID 101952795
ethyl (E,2R)-2-ethoxycarbonyloxyhept-3-enoate
CID 134897014

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethoxy-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one?
The IUPAC name of 6,6-dimethoxy-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one (CID 11096713) is 6,6-dimethoxy-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one.
What is the SMILES notation for 6,6-dimethoxy-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one?
The canonical SMILES for 6,6-dimethoxy-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one is COC1(OC)C=CC=CC12OC(=O)C(C)(C)O2.
What is the InChIKey of 6,6-dimethoxy-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one?
The InChIKey is VOAHXHOHIAOFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-10(2)9(13)16-12(17-10)8-6-5-7-11(12,14-3)15-4/h5-8H,1-4H3.
What are the key properties of 6,6-dimethoxy-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one?
6,6-dimethoxy-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one has a molecular weight of 240.25 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethoxy-3,3-dimethyl-1,4-dioxaspiro[4.5]deca-7,9-dien-2-one is sourced from PubChem (CID 11096713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).