7-ethyl-5-methyl-4,5-dihydro-1,3-benzodioxole

C10H14O2 — CID 167096526

IUPAC7-ethyl-5-methyl-4,5-dihydro-1,3-benzodioxole
SMILESCCC1=CC(C)CC2=C1OCO2
InChIInChI=1S/C10H14O2/c1-3-8-4-7(2)5-9-10(8)12-6-11-9/h4,7H,3,5-6H2,1-2H3
InChIKeyRLCVHVXHJSXRTN-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.58
Rot. Bonds1

About 7-ethyl-5-methyl-4,5-dihydro-1,3-benzodioxole

7-ethyl-5-methyl-4,5-dihydro-1,3-benzodioxole (PubChem CID 167096526) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 7-ethyl-5-methyl-4,5-dihydro-1,3-benzodioxole.

Molecular Properties

Compound Name7-ethyl-5-methyl-4,5-dihydro-1,3-benzodioxole
PubChem CID167096526
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name7-ethyl-5-methyl-4,5-dihydro-1,3-benzodioxole
SMILESCCC1=CC(C)CC2=C1OCO2
InChIInChI=1S/C10H14O2/c1-3-8-4-7(2)5-9-10(8)12-6-11-9/h4,7H,3,5-6H2,1-2H3
InChIKeyRLCVHVXHJSXRTN-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-ethyl-2,5-dimethylcyclohexa-1,3-diene
CID 142036504
(3S)-1,3-dimethylcyclobutene
CID 58737300
2,3-diethyl-5-methylcyclopenta-1,3-diene
CID 152862708
1-(6,7-dihydro-1,3-benzodioxol-4-yl)-N-methylmethanamine
CID 144515633
4,5-dimethyl-1,3-dioxole
CID 13058524
3-methyl-1-(3-methylcyclobuten-1-yl)sulfonylcyclobutene
CID 141000803
2-ethyl-4-methylcyclohepta-2,6-dien-1-imine
CID 123572930
1,2-diethyl-4,5-dimethylcyclohexene
CID 74022411
(4S)-2-ethyl-4-hydroxycyclopent-2-en-1-one
CID 58922282
ethane;3-ethyl-5-methyl-1-propylcyclohexa-1,3-diene
CID 142361347
5-ethyl-8-oxo-5,9-dihydro-4H-[1,3]dioxolo[4,5-f]quinoline-7-carboxylic acid
CID 67812480
3-ethyl-5-methyl-1-nitrocyclohexa-1,3-diene
CID 129312910

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-methyl-4,5-dihydro-1,3-benzodioxole?
The IUPAC name of 7-ethyl-5-methyl-4,5-dihydro-1,3-benzodioxole (CID 167096526) is 7-ethyl-5-methyl-4,5-dihydro-1,3-benzodioxole.
What is the SMILES notation for 7-ethyl-5-methyl-4,5-dihydro-1,3-benzodioxole?
The canonical SMILES for 7-ethyl-5-methyl-4,5-dihydro-1,3-benzodioxole is CCC1=CC(C)CC2=C1OCO2.
What is the InChIKey of 7-ethyl-5-methyl-4,5-dihydro-1,3-benzodioxole?
The InChIKey is RLCVHVXHJSXRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-8-4-7(2)5-9-10(8)12-6-11-9/h4,7H,3,5-6H2,1-2H3.
What are the key properties of 7-ethyl-5-methyl-4,5-dihydro-1,3-benzodioxole?
7-ethyl-5-methyl-4,5-dihydro-1,3-benzodioxole has a molecular weight of 166.22 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-methyl-4,5-dihydro-1,3-benzodioxole is sourced from PubChem (CID 167096526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).