3,5-diethoxy-3,5-dimethyl-7-oxabicyclo[2.2.1]hept-1-ene

C12H20O3 — CID 172820939

IUPAC3,5-diethoxy-3,5-dimethyl-7-oxabicyclo[2.2.1]hept-1-ene
SMILESCCOC1(C)C=C2CC(C)(OCC)C1O2
InChIInChI=1S/C12H20O3/c1-5-13-11(3)7-9-8-12(4,14-6-2)10(11)15-9/h7,10H,5-6,8H2,1-4H3
InChIKeyUFENPDDJZZKKCN-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.26
Rot. Bonds4

About 3,5-diethoxy-3,5-dimethyl-7-oxabicyclo[2.2.1]hept-1-ene

3,5-diethoxy-3,5-dimethyl-7-oxabicyclo[2.2.1]hept-1-ene (PubChem CID 172820939) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3,5-diethoxy-3,5-dimethyl-7-oxabicyclo[2.2.1]hept-1-ene.

Molecular Properties

Compound Name3,5-diethoxy-3,5-dimethyl-7-oxabicyclo[2.2.1]hept-1-ene
PubChem CID172820939
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name3,5-diethoxy-3,5-dimethyl-7-oxabicyclo[2.2.1]hept-1-ene
SMILESCCOC1(C)C=C2CC(C)(OCC)C1O2
InChIInChI=1S/C12H20O3/c1-5-13-11(3)7-9-8-12(4,14-6-2)10(11)15-9/h7,10H,5-6,8H2,1-4H3
InChIKeyUFENPDDJZZKKCN-UHFFFAOYSA-N
XLogP2.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethoxy-3,5-dimethyl-7-oxabicyclo[2.2.1]hept-1-ene?
The IUPAC name of 3,5-diethoxy-3,5-dimethyl-7-oxabicyclo[2.2.1]hept-1-ene (CID 172820939) is 3,5-diethoxy-3,5-dimethyl-7-oxabicyclo[2.2.1]hept-1-ene.
What is the SMILES notation for 3,5-diethoxy-3,5-dimethyl-7-oxabicyclo[2.2.1]hept-1-ene?
The canonical SMILES for 3,5-diethoxy-3,5-dimethyl-7-oxabicyclo[2.2.1]hept-1-ene is CCOC1(C)C=C2CC(C)(OCC)C1O2.
What is the InChIKey of 3,5-diethoxy-3,5-dimethyl-7-oxabicyclo[2.2.1]hept-1-ene?
The InChIKey is UFENPDDJZZKKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-5-13-11(3)7-9-8-12(4,14-6-2)10(11)15-9/h7,10H,5-6,8H2,1-4H3.
What are the key properties of 3,5-diethoxy-3,5-dimethyl-7-oxabicyclo[2.2.1]hept-1-ene?
3,5-diethoxy-3,5-dimethyl-7-oxabicyclo[2.2.1]hept-1-ene has a molecular weight of 212.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethoxy-3,5-dimethyl-7-oxabicyclo[2.2.1]hept-1-ene is sourced from PubChem (CID 172820939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).