2-(methoxymethoxy)-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene

C9H14O3 — CID 54451517

IUPAC2-(methoxymethoxy)-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene
SMILESCOCOC1C=C(C)CC2OC12
InChIInChI=1S/C9H14O3/c1-6-3-7(11-5-10-2)9-8(4-6)12-9/h3,7-9H,4-5H2,1-2H3
InChIKeyWVHPWIRSIDVVLN-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.09
Rot. Bonds3

About 2-(methoxymethoxy)-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene

2-(methoxymethoxy)-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene (PubChem CID 54451517) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(methoxymethoxy)-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene.

Molecular Properties

Compound Name2-(methoxymethoxy)-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene
PubChem CID54451517
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-(methoxymethoxy)-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene
SMILESCOCOC1C=C(C)CC2OC12
InChIInChI=1S/C9H14O3/c1-6-3-7(11-5-10-2)9-8(4-6)12-9/h3,7-9H,4-5H2,1-2H3
InChIKeyWVHPWIRSIDVVLN-UHFFFAOYSA-N
XLogP1.09
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxy)-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene?
The IUPAC name of 2-(methoxymethoxy)-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene (CID 54451517) is 2-(methoxymethoxy)-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene.
What is the SMILES notation for 2-(methoxymethoxy)-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene?
The canonical SMILES for 2-(methoxymethoxy)-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene is COCOC1C=C(C)CC2OC12.
What is the InChIKey of 2-(methoxymethoxy)-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene?
The InChIKey is WVHPWIRSIDVVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-6-3-7(11-5-10-2)9-8(4-6)12-9/h3,7-9H,4-5H2,1-2H3.
What are the key properties of 2-(methoxymethoxy)-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene?
2-(methoxymethoxy)-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene has a molecular weight of 170.21 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxy)-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene is sourced from PubChem (CID 54451517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).