5-(dimethoxymethyl)bicyclo[2.2.1]hept-2-ene

C10H16O2 — CID 20707338

IUPAC5-(dimethoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESCOC(OC)C1CC2C=CC1C2
InChIInChI=1S/C10H16O2/c1-11-10(12-2)9-6-7-3-4-8(9)5-7/h3-4,7-10H,5-6H2,1-2H3
InChIKeyMPVJRNKEBNHPNF-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.82
Rot. Bonds3

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

5-(dimethoxymethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 20707338) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-(dimethoxymethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(dimethoxymethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID20707338
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name5-(dimethoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESCOC(OC)C1CC2C=CC1C2
InChIInChI=1S/C10H16O2/c1-11-10(12-2)9-6-7-3-4-8(9)5-7/h3-4,7-10H,5-6H2,1-2H3
InChIKeyMPVJRNKEBNHPNF-UHFFFAOYSA-N
XLogP1.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.82
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-(dimethoxymethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(dimethoxymethyl)bicyclo[2.2.1]hept-2-ene (CID 20707338) is 5-(dimethoxymethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(dimethoxymethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(dimethoxymethyl)bicyclo[2.2.1]hept-2-ene is COC(OC)C1CC2C=CC1C2.
What is the InChIKey of 5-(dimethoxymethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is MPVJRNKEBNHPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-11-10(12-2)9-6-7-3-4-8(9)5-7/h3-4,7-10H,5-6H2,1-2H3.
What are the key properties of 5-(dimethoxymethyl)bicyclo[2.2.1]hept-2-ene?
5-(dimethoxymethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 168.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethoxymethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 20707338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).