6-ethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one

C10H14O3 — CID 101052018

IUPAC6-ethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one
SMILESCCC1CC(=O)C=CC12OCCO2
InChIInChI=1S/C10H14O3/c1-2-8-7-9(11)3-4-10(8)12-5-6-13-10/h3-4,8H,2,5-7H2,1H3
InChIKeyZTFMHDRPIQWLEH-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.28
Rot. Bonds1

About 6-ethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one

6-ethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one (PubChem CID 101052018) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 6-ethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one.

Molecular Properties

Compound Name6-ethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one
PubChem CID101052018
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name6-ethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one
SMILESCCC1CC(=O)C=CC12OCCO2
InChIInChI=1S/C10H14O3/c1-2-8-7-9(11)3-4-10(8)12-5-6-13-10/h3-4,8H,2,5-7H2,1H3
InChIKeyZTFMHDRPIQWLEH-UHFFFAOYSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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

1,4-Dioxaspiro[4.5]dec-6-en-8-one
CID 11008131
1,4-Dioxaspiro[4.5]dec-6-en-8-one, 7,9,9-trimethyl-
CID 11769425
2,2,3,3-Tetramethyl-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 141351515
(2S,3S)-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 21681548
(3aS,7aR)-2,2,3a-trimethyl-4,7a-dihydro-1,3-benzodioxol-5-one
CID 45378978
(3aR,7aR)-2-methoxy-3,3a,4,7a-tetrahydro-2H-1-benzofuran-5-one
CID 46201275
(5R)-4,4-dimethoxy-5-methylcyclohex-2-en-1-one
CID 101538683
(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
(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
6,6,7,10-Tetramethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one
CID 11117312

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one?
The IUPAC name of 6-ethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one (CID 101052018) is 6-ethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one.
What is the SMILES notation for 6-ethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one?
The canonical SMILES for 6-ethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one is CCC1CC(=O)C=CC12OCCO2.
What is the InChIKey of 6-ethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one?
The InChIKey is ZTFMHDRPIQWLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-8-7-9(11)3-4-10(8)12-5-6-13-10/h3-4,8H,2,5-7H2,1H3.
What are the key properties of 6-ethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one?
6-ethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one has a molecular weight of 182.22 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one is sourced from PubChem (CID 101052018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).