5-(3-methoxypropoxymethyl)bicyclo[2.2.1]hept-2-ene

C12H20O2 — CID 70640373

IUPAC5-(3-methoxypropoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESCOCCCOCC1CC2C=CC1C2
InChIInChI=1S/C12H20O2/c1-13-5-2-6-14-9-12-8-10-3-4-11(12)7-10/h3-4,10-12H,2,5-9H2,1H3
InChIKeyUIJDGASLJBFHCF-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.25
Rot. Bonds6

About 5-(3-methoxypropoxymethyl)bicyclo[2.2.1]hept-2-ene

5-(3-methoxypropoxymethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 70640373) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-(3-methoxypropoxymethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(3-methoxypropoxymethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID70640373
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name5-(3-methoxypropoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESCOCCCOCC1CC2C=CC1C2
InChIInChI=1S/C12H20O2/c1-13-5-2-6-14-9-12-8-10-3-4-11(12)7-10/h3-4,10-12H,2,5-9H2,1H3
InChIKeyUIJDGASLJBFHCF-UHFFFAOYSA-N
XLogP2.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 59169045
5-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene
CID 58241645
5-(8-methoxyoctyl)bicyclo[2.2.1]hept-2-ene
CID 59748193
4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)butanoic acid
CID 154068975
2-[2-[2-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy]ethoxy]ethoxy]ethanamine
CID 118226303
2-bicyclo[2.2.1]hept-5-enylmethyl 3-methoxypropanoate
CID 151716584
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methoxyethoxy)butan-1-amine
CID 115685556
2-[2-[2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)ethoxy]ethoxy]ethyl methanesulfonate
CID 172611502
5-[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)but-2-enoxymethyl]bicyclo[2.2.1]hept-2-ene
CID 154203561
5-[2-(2-azidoethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene
CID 90326541
tris(2-bicyclo[2.2.1]hept-5-enylmethyl) phosphate
CID 70616526
1-(2-bicyclo[2.2.1]hept-5-enyl)-3-cyclopentyl-7-methoxyheptan-3-ol
CID 21361771

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypropoxymethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(3-methoxypropoxymethyl)bicyclo[2.2.1]hept-2-ene (CID 70640373) is 5-(3-methoxypropoxymethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(3-methoxypropoxymethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(3-methoxypropoxymethyl)bicyclo[2.2.1]hept-2-ene is COCCCOCC1CC2C=CC1C2.
What is the InChIKey of 5-(3-methoxypropoxymethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is UIJDGASLJBFHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-13-5-2-6-14-9-12-8-10-3-4-11(12)7-10/h3-4,10-12H,2,5-9H2,1H3.
What are the key properties of 5-(3-methoxypropoxymethyl)bicyclo[2.2.1]hept-2-ene?
5-(3-methoxypropoxymethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 196.29 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypropoxymethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 70640373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).