(5S)-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-8-one

C10H14O3 — CID 10877758

IUPAC(5S)-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-8-one
SMILESCC1(C)OC[C@]2(C=CC(=O)CC2)O1
InChIInChI=1S/C10H14O3/c1-9(2)12-7-10(13-9)5-3-8(11)4-6-10/h3,5H,4,6-7H2,1-2H3/t10-/m1/s1
InChIKeyZVMINOXACMEHDI-SNVBAGLBSA-N
MW182.22 g/mol
LogP1.43
Rot. Bonds

About (5S)-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-8-one

(5S)-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-8-one (PubChem CID 10877758) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (5S)-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-8-one.

Molecular Properties

Compound Name(5S)-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-8-one
PubChem CID10877758
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(5S)-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-8-one
SMILESCC1(C)OC[C@]2(C=CC(=O)CC2)O1
InChIInChI=1S/C10H14O3/c1-9(2)12-7-10(13-9)5-3-8(11)4-6-10/h3,5H,4,6-7H2,1-2H3/t10-/m1/s1
InChIKeyZVMINOXACMEHDI-SNVBAGLBSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dioxaspiro[4.5]dec-6-en-8-one
CID 11008131
(3aS,7aR)-2,2,3a-trimethyl-4,7a-dihydro-1,3-benzodioxol-5-one
CID 45378978
(3aS,7aR)-7a-methyl-3a,4-dihydro-1,3-benzodioxol-5-one
CID 102364651
(2R,3aS,7aR)-7a-methyl-2-propan-2-yl-3a,4-dihydro-1,3-benzodioxol-5-one
CID 102364653
(2R,3aS,7aR)-2-but-3-enyl-7a-methyl-3a,4-dihydro-1,3-benzodioxol-5-one
CID 102364654
(3aS,7aR)-2,2,7a-trimethyl-3a,4-dihydro-1,3-benzodioxol-5-one
CID 135023804
(2S,3aS,7aR)-7a-methyl-2-propan-2-yl-3a,4-dihydro-1,3-benzodioxol-5-one
CID 135024397
4-Methoxy-4-(methoxymethyl)cyclohex-2-en-1-one
CID 10678732
9-Methyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 91701092
7,9-Dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 19594449
9,9-Dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 57734300
2,2,3,3-Tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 59194205

Frequently Asked Questions

What is the IUPAC name of (5S)-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-8-one?
The IUPAC name of (5S)-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-8-one (CID 10877758) is (5S)-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-8-one.
What is the SMILES notation for (5S)-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-8-one?
The canonical SMILES for (5S)-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-8-one is CC1(C)OC[C@]2(C=CC(=O)CC2)O1.
What is the InChIKey of (5S)-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-8-one?
The InChIKey is ZVMINOXACMEHDI-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14O3/c1-9(2)12-7-10(13-9)5-3-8(11)4-6-10/h3,5H,4,6-7H2,1-2H3/t10-/m1/s1.
What are the key properties of (5S)-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-8-one?
(5S)-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-8-one has a molecular weight of 182.22 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-8-one is sourced from PubChem (CID 10877758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).