1,2-diethoxybicyclo[2.2.1]hept-2-ene

C11H18O2 — CID 141188577

IUPAC1,2-diethoxybicyclo[2.2.1]hept-2-ene
SMILESCCOC1=CC2CCC1(OCC)C2
InChIInChI=1S/C11H18O2/c1-3-12-10-7-9-5-6-11(10,8-9)13-4-2/h7,9H,3-6,8H2,1-2H3
InChIKeyDERGNSZPKYMAAR-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.50
Rot. Bonds4

About 1,2-diethoxybicyclo[2.2.1]hept-2-ene

1,2-diethoxybicyclo[2.2.1]hept-2-ene (PubChem CID 141188577) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1,2-diethoxybicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name1,2-diethoxybicyclo[2.2.1]hept-2-ene
PubChem CID141188577
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1,2-diethoxybicyclo[2.2.1]hept-2-ene
SMILESCCOC1=CC2CCC1(OCC)C2
InChIInChI=1S/C11H18O2/c1-3-12-10-7-9-5-6-11(10,8-9)13-4-2/h7,9H,3-6,8H2,1-2H3
InChIKeyDERGNSZPKYMAAR-UHFFFAOYSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethoxybicyclo[2.2.1]hept-2-ene?
The IUPAC name of 1,2-diethoxybicyclo[2.2.1]hept-2-ene (CID 141188577) is 1,2-diethoxybicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 1,2-diethoxybicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 1,2-diethoxybicyclo[2.2.1]hept-2-ene is CCOC1=CC2CCC1(OCC)C2.
What is the InChIKey of 1,2-diethoxybicyclo[2.2.1]hept-2-ene?
The InChIKey is DERGNSZPKYMAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-12-10-7-9-5-6-11(10,8-9)13-4-2/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 1,2-diethoxybicyclo[2.2.1]hept-2-ene?
1,2-diethoxybicyclo[2.2.1]hept-2-ene has a molecular weight of 182.26 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethoxybicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 141188577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).