5-(methoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene

C12H20O — CID 59748219

IUPAC5-(methoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene
SMILESCCCC1C2C=CC(C2)C1COC
InChIInChI=1S/C12H20O/c1-3-4-11-9-5-6-10(7-9)12(11)8-13-2/h5-6,9-12H,3-4,7-8H2,1-2H3
InChIKeyWNBLGYHCZRRQDC-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.87
Rot. Bonds4

About 5-(methoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene

5-(methoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene (PubChem CID 59748219) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 5-(methoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(methoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene
PubChem CID59748219
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name5-(methoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene
SMILESCCCC1C2C=CC(C2)C1COC
InChIInChI=1S/C12H20O/c1-3-4-11-9-5-6-10(7-9)12(11)8-13-2/h5-6,9-12H,3-4,7-8H2,1-2H3
InChIKeyWNBLGYHCZRRQDC-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.87
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 5-(methoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(methoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene (CID 59748219) is 5-(methoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(methoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(methoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene is CCCC1C2C=CC(C2)C1COC.
What is the InChIKey of 5-(methoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene?
The InChIKey is WNBLGYHCZRRQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-3-4-11-9-5-6-10(7-9)12(11)8-13-2/h5-6,9-12H,3-4,7-8H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene?
5-(methoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene has a molecular weight of 180.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 59748219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).