(9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one

C10H14O3 — CID 10943096

IUPAC(9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
SMILESCC1=CC2(C[C@@H](C)C1=O)OCCO2
InChIInChI=1S/C10H14O3/c1-7-5-10(12-3-4-13-10)6-8(2)9(7)11/h5,8H,3-4,6H2,1-2H3/t8-/m1/s1
InChIKeyZFZWAPIAKMAHQC-MRVPVSSYSA-N
MW182.22 g/mol
LogP1.28
Rot. Bonds

About (9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one

(9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one (PubChem CID 10943096) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one.

Molecular Properties

Compound Name(9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
PubChem CID10943096
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
SMILESCC1=CC2(C[C@@H](C)C1=O)OCCO2
InChIInChI=1S/C10H14O3/c1-7-5-10(12-3-4-13-10)6-8(2)9(7)11/h5,8H,3-4,6H2,1-2H3/t8-/m1/s1
InChIKeyZFZWAPIAKMAHQC-MRVPVSSYSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 9-methyl-8-oxo-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate
CID 134155166
1,4-Dioxaspiro[4.5]dec-6-en-8-one, 7,9,9-trimethyl-
CID 11769425
3,5-Dimethyl-5-trifluoromethyl-1,1-ethylenedioxy-2-cyclohexen-4-one
CID 11831832
2,3,7,9-Tetramethyl-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 70873417
(2S,3S)-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 21681548
6-((1,3-Dioxolan-2-yl)-2-ethyl)-5-isopropenyl-2-methyl-2-cyclohexen-1-one
CID 129705601
(3aR,7aS)-2,2,6-trimethyl-4,7a-dihydro-3aH-1,3-benzodioxol-5-one
CID 134856085
7-(Difluoromethyl)-9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 71343758
6,6,7,10-Tetramethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one
CID 11117312
Spiro[bicyclo[4.1.0]heptane-2,2'-[1,3]dioxolan]-3-en-5-one
CID 85255437
9-Methyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 91701092
2,7,9,9-Tetramethyl-1,4-dioxaspiro[4,5]dec-6-en-8-one
CID 13209183

Frequently Asked Questions

What is the IUPAC name of (9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one?
The IUPAC name of (9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one (CID 10943096) is (9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one.
What is the SMILES notation for (9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one?
The canonical SMILES for (9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one is CC1=CC2(C[C@@H](C)C1=O)OCCO2.
What is the InChIKey of (9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one?
The InChIKey is ZFZWAPIAKMAHQC-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14O3/c1-7-5-10(12-3-4-13-10)6-8(2)9(7)11/h5,8H,3-4,6H2,1-2H3/t8-/m1/s1.
What are the key properties of (9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one?
(9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one has a molecular weight of 182.22 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one is sourced from PubChem (CID 10943096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).