1-ethyl-4-methyl-2,9-dioxabicyclo[3.3.1]non-7-en-6-one

C10H14O3 — CID 134843795

IUPAC1-ethyl-4-methyl-2,9-dioxabicyclo[3.3.1]non-7-en-6-one
SMILESCCC12C=CC(=O)C(O1)C(C)CO2
InChIInChI=1S/C10H14O3/c1-3-10-5-4-8(11)9(13-10)7(2)6-12-10/h4-5,7,9H,3,6H2,1-2H3
InChIKeyWPIZAYBTLFPVGN-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.28
Rot. Bonds1

About 1-ethyl-4-methyl-2,9-dioxabicyclo[3.3.1]non-7-en-6-one

1-ethyl-4-methyl-2,9-dioxabicyclo[3.3.1]non-7-en-6-one (PubChem CID 134843795) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-ethyl-4-methyl-2,9-dioxabicyclo[3.3.1]non-7-en-6-one.

Molecular Properties

Compound Name1-ethyl-4-methyl-2,9-dioxabicyclo[3.3.1]non-7-en-6-one
PubChem CID134843795
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name1-ethyl-4-methyl-2,9-dioxabicyclo[3.3.1]non-7-en-6-one
SMILESCCC12C=CC(=O)C(O1)C(C)CO2
InChIInChI=1S/C10H14O3/c1-3-10-5-4-8(11)9(13-10)7(2)6-12-10/h4-5,7,9H,3,6H2,1-2H3
InChIKeyWPIZAYBTLFPVGN-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

2-Propan-2-yl-1,7-dioxaspiro[5.5]undec-4-en-3-one
CID 15599468
1,3,8-Trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-6-one
CID 85419929
(5S,7R)-7-propan-2-yl-1,6-dioxaspiro[4.5]dec-9-en-8-one
CID 102310942
6-Methoxy-2-(propan-2-yl)-2H-pyran-3(6H)-one
CID 21397294
6-Methoxy-6-methyl-2-propan-2-ylpyran-3-one
CID 139839705
(4S,6R)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-9-one
CID 10399957
(2R,6S)-2-methoxy-6-propan-2-yl-2H-pyran-5-one
CID 11073844
(1R,3S,5R)-1,3,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-6-one
CID 11159686
1,3-Dimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-6-one
CID 14352076
11-Ethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one
CID 101052019
(1S,3R,4R,5S)-3-[(2R)-but-3-en-2-yl]-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-6-one
CID 101360113
(11S)-11-methyl-1,5-dioxaspiro[5.5]undec-7-en-9-one
CID 101511883

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methyl-2,9-dioxabicyclo[3.3.1]non-7-en-6-one?
The IUPAC name of 1-ethyl-4-methyl-2,9-dioxabicyclo[3.3.1]non-7-en-6-one (CID 134843795) is 1-ethyl-4-methyl-2,9-dioxabicyclo[3.3.1]non-7-en-6-one.
What is the SMILES notation for 1-ethyl-4-methyl-2,9-dioxabicyclo[3.3.1]non-7-en-6-one?
The canonical SMILES for 1-ethyl-4-methyl-2,9-dioxabicyclo[3.3.1]non-7-en-6-one is CCC12C=CC(=O)C(O1)C(C)CO2.
What is the InChIKey of 1-ethyl-4-methyl-2,9-dioxabicyclo[3.3.1]non-7-en-6-one?
The InChIKey is WPIZAYBTLFPVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-10-5-4-8(11)9(13-10)7(2)6-12-10/h4-5,7,9H,3,6H2,1-2H3.
What are the key properties of 1-ethyl-4-methyl-2,9-dioxabicyclo[3.3.1]non-7-en-6-one?
1-ethyl-4-methyl-2,9-dioxabicyclo[3.3.1]non-7-en-6-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 1-ethyl-4-methyl-2,9-dioxabicyclo[3.3.1]non-7-en-6-one is sourced from PubChem (CID 134843795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).