5,5-bis(prop-1-enoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene

C18H28O2 — CID 139896231

IUPAC5,5-bis(prop-1-enoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene
SMILESCC=COCC1(COC=CC)C2C=CC(C2)C1CCC
InChIInChI=1S/C18H28O2/c1-4-7-17-15-8-9-16(12-15)18(17,13-19-10-5-2)14-20-11-6-3/h5-6,8-11,15-17H,4,7,12-14H2,1-3H3
InChIKeyFZNPULDXRRXABC-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.70
Rot. Bonds8

About 5,5-bis(prop-1-enoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene

5,5-bis(prop-1-enoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene (PubChem CID 139896231) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 5,5-bis(prop-1-enoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5,5-bis(prop-1-enoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene
PubChem CID139896231
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name5,5-bis(prop-1-enoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene
SMILESCC=COCC1(COC=CC)C2C=CC(C2)C1CCC
InChIInChI=1S/C18H28O2/c1-4-7-17-15-8-9-16(12-15)18(17,13-19-10-5-2)14-20-11-6-3/h5-6,8-11,15-17H,4,7,12-14H2,1-3H3
InChIKeyFZNPULDXRRXABC-UHFFFAOYSA-N
XLogP4.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-bis(prop-1-enoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5,5-bis(prop-1-enoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene (CID 139896231) is 5,5-bis(prop-1-enoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5,5-bis(prop-1-enoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5,5-bis(prop-1-enoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene is CC=COCC1(COC=CC)C2C=CC(C2)C1CCC.
What is the InChIKey of 5,5-bis(prop-1-enoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene?
The InChIKey is FZNPULDXRRXABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-4-7-17-15-8-9-16(12-15)18(17,13-19-10-5-2)14-20-11-6-3/h5-6,8-11,15-17H,4,7,12-14H2,1-3H3.
What are the key properties of 5,5-bis(prop-1-enoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene?
5,5-bis(prop-1-enoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene has a molecular weight of 276.42 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(prop-1-enoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 139896231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).