1-(6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl)propan-1-one

C12H18O3 — CID 10921759

IUPAC1-(6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl)propan-1-one
SMILESCCC(=O)C1=C(C)C2(CCC1)OCCO2
InChIInChI=1S/C12H18O3/c1-3-11(13)10-5-4-6-12(9(10)2)14-7-8-15-12/h3-8H2,1-2H3
InChIKeyKPJWAINMZGBOCW-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.21
Rot. Bonds2

About 1-(6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl)propan-1-one

1-(6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl)propan-1-one (PubChem CID 10921759) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-(6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl)propan-1-one.

Molecular Properties

Compound Name1-(6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl)propan-1-one
PubChem CID10921759
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-(6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl)propan-1-one
SMILESCCC(=O)C1=C(C)C2(CCC1)OCCO2
InChIInChI=1S/C12H18O3/c1-3-11(13)10-5-4-6-12(9(10)2)14-7-8-15-12/h3-8H2,1-2H3
InChIKeyKPJWAINMZGBOCW-UHFFFAOYSA-N
XLogP2.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Methoxymethoxy)-1,2,3,5,6,7,8,9-octahydrobenzo[7]annulen-4-one
CID 101599445
Ethyl 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carboxylate
CID 12523916
Ethyl 2-[5-(1,3-dioxolan-2-yl)pentyl]cyclohexene-1-carboxylate
CID 134942632
(E)-1,3-dimethoxy-2-[(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methyl]-3-oxoprop-1-en-1-olate
CID 135047803
7,7-Diethoxybicyclo[4.2.0]oct-1(6)-en-2-one
CID 135083075
1,4-Dioxaspiro[4.5]dec-7-ene-7-carboxylic acid, 8-(2-methoxycarbonylethyl)-, methyl ester
CID 559925
Zaxhfmvingzzqx-uhfffaoysa-
CID 11150365
Ethyl 8-methyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
CID 14377556
Methyl 1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate
CID 12854654
Methyl 8-methyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
CID 70907417
Ethyl 2-propanoylcyclopentene-1-carboxylate
CID 118333553
Ethyl 1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate
CID 141509796

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl)propan-1-one?
The IUPAC name of 1-(6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl)propan-1-one (CID 10921759) is 1-(6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl)propan-1-one.
What is the SMILES notation for 1-(6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl)propan-1-one?
The canonical SMILES for 1-(6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl)propan-1-one is CCC(=O)C1=C(C)C2(CCC1)OCCO2.
What is the InChIKey of 1-(6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl)propan-1-one?
The InChIKey is KPJWAINMZGBOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-3-11(13)10-5-4-6-12(9(10)2)14-7-8-15-12/h3-8H2,1-2H3.
What are the key properties of 1-(6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl)propan-1-one?
1-(6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl)propan-1-one has a molecular weight of 210.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl)propan-1-one is sourced from PubChem (CID 10921759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).