1-ethoxybicyclo[2.2.1]hept-2-ene

C9H14O — CID 139634158

IUPAC1-ethoxybicyclo[2.2.1]hept-2-ene
SMILESCCOC12C=CC(CC1)C2
InChIInChI=1S/C9H14O/c1-2-10-9-5-3-8(7-9)4-6-9/h3,5,8H,2,4,6-7H2,1H3
InChIKeyQMOZKEWGXCGKHO-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.13
Rot. Bonds2

About 1-ethoxybicyclo[2.2.1]hept-2-ene

1-ethoxybicyclo[2.2.1]hept-2-ene (PubChem CID 139634158) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-ethoxybicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name1-ethoxybicyclo[2.2.1]hept-2-ene
PubChem CID139634158
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name1-ethoxybicyclo[2.2.1]hept-2-ene
SMILESCCOC12C=CC(CC1)C2
InChIInChI=1S/C9H14O/c1-2-10-9-5-3-8(7-9)4-6-9/h3,5,8H,2,4,6-7H2,1H3
InChIKeyQMOZKEWGXCGKHO-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxybicyclo[2.2.1]hept-2-ene?
The IUPAC name of 1-ethoxybicyclo[2.2.1]hept-2-ene (CID 139634158) is 1-ethoxybicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 1-ethoxybicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 1-ethoxybicyclo[2.2.1]hept-2-ene is CCOC12C=CC(CC1)C2.
What is the InChIKey of 1-ethoxybicyclo[2.2.1]hept-2-ene?
The InChIKey is QMOZKEWGXCGKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-2-10-9-5-3-8(7-9)4-6-9/h3,5,8H,2,4,6-7H2,1H3.
What are the key properties of 1-ethoxybicyclo[2.2.1]hept-2-ene?
1-ethoxybicyclo[2.2.1]hept-2-ene has a molecular weight of 138.21 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxybicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 139634158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).