5-methyl-5-(1-propoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene

C14H24O2 — CID 22336763

IUPAC5-methyl-5-(1-propoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESCCCOC(C)OCC1(C)CC2C=CC1C2
InChIInChI=1S/C14H24O2/c1-4-7-15-11(2)16-10-14(3)9-12-5-6-13(14)8-12/h5-6,11-13H,4,7-10H2,1-3H3
InChIKeyOFXUBRQGWDXBCY-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.38
Rot. Bonds6

About 5-methyl-5-(1-propoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene

5-methyl-5-(1-propoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 22336763) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 5-methyl-5-(1-propoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-methyl-5-(1-propoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID22336763
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name5-methyl-5-(1-propoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESCCCOC(C)OCC1(C)CC2C=CC1C2
InChIInChI=1S/C14H24O2/c1-4-7-15-11(2)16-10-14(3)9-12-5-6-13(14)8-12/h5-6,11-13H,4,7-10H2,1-3H3
InChIKeyOFXUBRQGWDXBCY-UHFFFAOYSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(1-propoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-methyl-5-(1-propoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene (CID 22336763) is 5-methyl-5-(1-propoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-methyl-5-(1-propoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-methyl-5-(1-propoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene is CCCOC(C)OCC1(C)CC2C=CC1C2.
What is the InChIKey of 5-methyl-5-(1-propoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is OFXUBRQGWDXBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-7-15-11(2)16-10-14(3)9-12-5-6-13(14)8-12/h5-6,11-13H,4,7-10H2,1-3H3.
What are the key properties of 5-methyl-5-(1-propoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene?
5-methyl-5-(1-propoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 224.34 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(1-propoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 22336763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).