4-ethoxybicyclo[3.2.0]hept-2-ene

C9H14O — CID 557661

IUPAC4-ethoxybicyclo[3.2.0]hept-2-ene
SMILESCCOC1C=CC2CCC21
InChIInChI=1S/C9H14O/c1-2-10-9-6-4-7-3-5-8(7)9/h4,6-9H,2-3,5H2,1H3
InChIKeyVIFJCKJDUKYPNS-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.99
Rot. Bonds2

About 4-ethoxybicyclo[3.2.0]hept-2-ene

4-ethoxybicyclo[3.2.0]hept-2-ene (PubChem CID 557661) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-ethoxybicyclo[3.2.0]hept-2-ene.

Molecular Properties

Compound Name4-ethoxybicyclo[3.2.0]hept-2-ene
PubChem CID557661
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name4-ethoxybicyclo[3.2.0]hept-2-ene
SMILESCCOC1C=CC2CCC21
InChIInChI=1S/C9H14O/c1-2-10-9-6-4-7-3-5-8(7)9/h4,6-9H,2-3,5H2,1H3
InChIKeyVIFJCKJDUKYPNS-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
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 4-ethoxybicyclo[3.2.0]hept-2-ene?
The IUPAC name of 4-ethoxybicyclo[3.2.0]hept-2-ene (CID 557661) is 4-ethoxybicyclo[3.2.0]hept-2-ene.
What is the SMILES notation for 4-ethoxybicyclo[3.2.0]hept-2-ene?
The canonical SMILES for 4-ethoxybicyclo[3.2.0]hept-2-ene is CCOC1C=CC2CCC21.
What is the InChIKey of 4-ethoxybicyclo[3.2.0]hept-2-ene?
The InChIKey is VIFJCKJDUKYPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-2-10-9-6-4-7-3-5-8(7)9/h4,6-9H,2-3,5H2,1H3.
What are the key properties of 4-ethoxybicyclo[3.2.0]hept-2-ene?
4-ethoxybicyclo[3.2.0]hept-2-ene has a molecular weight of 138.21 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxybicyclo[3.2.0]hept-2-ene is sourced from PubChem (CID 557661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).