5-ethyl-5-methylcyclohepta[d][1,3]dioxole

C11H14O2 — CID 142164339

IUPAC5-ethyl-5-methylcyclohepta[d][1,3]dioxole
SMILESCCC1(C)C=CC=C2OCOC2=C1
InChIInChI=1S/C11H14O2/c1-3-11(2)6-4-5-9-10(7-11)13-8-12-9/h4-7H,3,8H2,1-2H3
InChIKeyBMMRGELLZFXFAZ-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.74
Rot. Bonds1

About 5-ethyl-5-methylcyclohepta[d][1,3]dioxole

5-ethyl-5-methylcyclohepta[d][1,3]dioxole (PubChem CID 142164339) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 5-ethyl-5-methylcyclohepta[d][1,3]dioxole.

Molecular Properties

Compound Name5-ethyl-5-methylcyclohepta[d][1,3]dioxole
PubChem CID142164339
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name5-ethyl-5-methylcyclohepta[d][1,3]dioxole
SMILESCCC1(C)C=CC=C2OCOC2=C1
InChIInChI=1S/C11H14O2/c1-3-11(2)6-4-5-9-10(7-11)13-8-12-9/h4-7H,3,8H2,1-2H3
InChIKeyBMMRGELLZFXFAZ-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-ethyl-7-methyl-1H-cyclohepta[c]pyrazole
CID 144603221
8,8-dimethyl-4H-cyclohepta[d][1,3]dioxine
CID 170194792
5-ethyl-5-methyl-1H-cyclohepta[d]imidazole
CID 166077226
6-ethyl-6-methylazepine-2-carbaldehyde
CID 175623753
5-ethyl-N,5-dimethylcyclohepta-1,3,6-trien-1-amine
CID 163604999
4-ethyl-2,4-dimethylpyran
CID 123819702
3-ethyl-3-methylcyclopenta-1,4-dien-1-ol
CID 163478961
cyclopenta-1,3-diene;ethane;5-ethyl-5-methylcyclopenta-1,3-diene
CID 91116862
3-ethyl-1,3,5-trimethylcyclohexa-1,4-diene
CID 173366830
6-ethyl-4,6-dimethylcyclohepta[c][1,2,5]oxadiazole
CID 143608597
(4R,7Z)-3-(7-ethyl-3,3-dimethylcyclohepta-1,4,6-trien-1-yl)-4,6,6-trimethyl-4,5-dihydro-3H-azocine
CID 145082650
6,6-diethyl-4,11b-dimethyl-7H-benzo[a]quinolizine
CID 144782397

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methylcyclohepta[d][1,3]dioxole?
The IUPAC name of 5-ethyl-5-methylcyclohepta[d][1,3]dioxole (CID 142164339) is 5-ethyl-5-methylcyclohepta[d][1,3]dioxole.
What is the SMILES notation for 5-ethyl-5-methylcyclohepta[d][1,3]dioxole?
The canonical SMILES for 5-ethyl-5-methylcyclohepta[d][1,3]dioxole is CCC1(C)C=CC=C2OCOC2=C1.
What is the InChIKey of 5-ethyl-5-methylcyclohepta[d][1,3]dioxole?
The InChIKey is BMMRGELLZFXFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-11(2)6-4-5-9-10(7-11)13-8-12-9/h4-7H,3,8H2,1-2H3.
What are the key properties of 5-ethyl-5-methylcyclohepta[d][1,3]dioxole?
5-ethyl-5-methylcyclohepta[d][1,3]dioxole has a molecular weight of 178.23 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methylcyclohepta[d][1,3]dioxole is sourced from PubChem (CID 142164339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).