1-(6-acetyl-1,4-dioxaspiro[4.5]decan-6-yl)propan-2-one

C13H20O4 — CID 11776431

IUPAC1-(6-acetyl-1,4-dioxaspiro[4.5]decan-6-yl)propan-2-one
SMILESCC(=O)CC1(C(C)=O)CCCCC12OCCO2
InChIInChI=1S/C13H20O4/c1-10(14)9-12(11(2)15)5-3-4-6-13(12)16-7-8-17-13/h3-9H2,1-2H3
InChIKeyDQXYZOKDCWZXMJ-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.86
Rot. Bonds3

About 1-(6-acetyl-1,4-dioxaspiro[4.5]decan-6-yl)propan-2-one

1-(6-acetyl-1,4-dioxaspiro[4.5]decan-6-yl)propan-2-one (PubChem CID 11776431) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(6-acetyl-1,4-dioxaspiro[4.5]decan-6-yl)propan-2-one.

Molecular Properties

Compound Name1-(6-acetyl-1,4-dioxaspiro[4.5]decan-6-yl)propan-2-one
PubChem CID11776431
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-(6-acetyl-1,4-dioxaspiro[4.5]decan-6-yl)propan-2-one
SMILESCC(=O)CC1(C(C)=O)CCCCC12OCCO2
InChIInChI=1S/C13H20O4/c1-10(14)9-12(11(2)15)5-3-4-6-13(12)16-7-8-17-13/h3-9H2,1-2H3
InChIKeyDQXYZOKDCWZXMJ-UHFFFAOYSA-N
XLogP1.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7,7-Dimethyl-1,4-dioxaspiro[4.5]decan-8-one
CID 11171389
6,6-Dimethyl-1,4-dioxaspiro[4.5]decan-7-one
CID 10997717
6,6,9,9-Tetramethyl-1,4-dioxaspiro[4.5]decan-7-one
CID 146082096
1-{1,4-Dioxaspiro[4.5]decan-6-yl}ethanone
CID 10103861
Ethyl 5,5-ethylenedioxy-1-methyl-2-oxocyclohexanecarboxylate
CID 12363320
1,4-Dioxaspiro[4.5]decane-6-carboxylic acid, 6-methyl-, ethyl ester
CID 567367
(R)-1,4-Dioxadispiro[4.0.56.45]pentadecan-7-one
CID 85856331
7,10-Dioxadispiro[4.0.46.45]tetradecan-4-one
CID 85857823
1-(6-Prop-2-ynyl-1,4-dioxaspiro[4.5]decan-6-yl)ethanone
CID 10082280
3-[2-(1,3-Dioxolan-2-yl)ethyl]-3-methylcyclohexan-1-one
CID 12452561
2-(2-Methyl-1,3-dioxolan-2-yl)cyclohexanone
CID 13112445
Ethyl 7-(6-methyl-7-oxo-1,4-dioxaspiro[4.5]decan-6-yl)hept-2-ynoate
CID 134834195

Frequently Asked Questions

What is the IUPAC name of 1-(6-acetyl-1,4-dioxaspiro[4.5]decan-6-yl)propan-2-one?
The IUPAC name of 1-(6-acetyl-1,4-dioxaspiro[4.5]decan-6-yl)propan-2-one (CID 11776431) is 1-(6-acetyl-1,4-dioxaspiro[4.5]decan-6-yl)propan-2-one.
What is the SMILES notation for 1-(6-acetyl-1,4-dioxaspiro[4.5]decan-6-yl)propan-2-one?
The canonical SMILES for 1-(6-acetyl-1,4-dioxaspiro[4.5]decan-6-yl)propan-2-one is CC(=O)CC1(C(C)=O)CCCCC12OCCO2.
What is the InChIKey of 1-(6-acetyl-1,4-dioxaspiro[4.5]decan-6-yl)propan-2-one?
The InChIKey is DQXYZOKDCWZXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-10(14)9-12(11(2)15)5-3-4-6-13(12)16-7-8-17-13/h3-9H2,1-2H3.
What are the key properties of 1-(6-acetyl-1,4-dioxaspiro[4.5]decan-6-yl)propan-2-one?
1-(6-acetyl-1,4-dioxaspiro[4.5]decan-6-yl)propan-2-one has a molecular weight of 240.30 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-acetyl-1,4-dioxaspiro[4.5]decan-6-yl)propan-2-one is sourced from PubChem (CID 11776431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).