7-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene

C9H14O2 — CID 15418784

IUPAC7-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene
SMILESCOCOC1C2C=CC1CC2
InChIInChI=1S/C9H14O2/c1-10-6-11-9-7-2-3-8(9)5-4-7/h2-3,7-9H,4-6H2,1H3
InChIKeyPIEVOUZQGPYLKF-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.57
Rot. Bonds3

About 7-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene

7-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene (PubChem CID 15418784) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 7-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name7-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene
PubChem CID15418784
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name7-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene
SMILESCOCOC1C2C=CC1CC2
InChIInChI=1S/C9H14O2/c1-10-6-11-9-7-2-3-8(9)5-4-7/h2-3,7-9H,4-6H2,1H3
InChIKeyPIEVOUZQGPYLKF-UHFFFAOYSA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.57
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 7-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 7-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene (CID 15418784) is 7-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 7-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 7-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene is COCOC1C2C=CC1CC2.
What is the InChIKey of 7-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene?
The InChIKey is PIEVOUZQGPYLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-10-6-11-9-7-2-3-8(9)5-4-7/h2-3,7-9H,4-6H2,1H3.
What are the key properties of 7-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene?
7-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene has a molecular weight of 154.21 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethoxy)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 15418784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).