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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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).