2,3-bis(methoxymethyl)-1-methyl-7-oxabicyclo[2.2.1]hept-2-ene

C11H18O3 — CID 23039781

IUPAC2,3-bis(methoxymethyl)-1-methyl-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCOCC1=C(COC)C2(C)CCC1O2
InChIInChI=1S/C11H18O3/c1-11-5-4-10(14-11)8(6-12-2)9(11)7-13-3/h10H,4-7H2,1-3H3
InChIKeyRVAJUGFSXXTISE-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.53
Rot. Bonds4

About 2,3-bis(methoxymethyl)-1-methyl-7-oxabicyclo[2.2.1]hept-2-ene

2,3-bis(methoxymethyl)-1-methyl-7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 23039781) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2,3-bis(methoxymethyl)-1-methyl-7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name2,3-bis(methoxymethyl)-1-methyl-7-oxabicyclo[2.2.1]hept-2-ene
PubChem CID23039781
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2,3-bis(methoxymethyl)-1-methyl-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCOCC1=C(COC)C2(C)CCC1O2
InChIInChI=1S/C11H18O3/c1-11-5-4-10(14-11)8(6-12-2)9(11)7-13-3/h10H,4-7H2,1-3H3
InChIKeyRVAJUGFSXXTISE-UHFFFAOYSA-N
XLogP1.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(methoxymethyl)-1-methyl-7-oxabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 2,3-bis(methoxymethyl)-1-methyl-7-oxabicyclo[2.2.1]hept-2-ene (CID 23039781) is 2,3-bis(methoxymethyl)-1-methyl-7-oxabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 2,3-bis(methoxymethyl)-1-methyl-7-oxabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 2,3-bis(methoxymethyl)-1-methyl-7-oxabicyclo[2.2.1]hept-2-ene is COCC1=C(COC)C2(C)CCC1O2.
What is the InChIKey of 2,3-bis(methoxymethyl)-1-methyl-7-oxabicyclo[2.2.1]hept-2-ene?
The InChIKey is RVAJUGFSXXTISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-11-5-4-10(14-11)8(6-12-2)9(11)7-13-3/h10H,4-7H2,1-3H3.
What are the key properties of 2,3-bis(methoxymethyl)-1-methyl-7-oxabicyclo[2.2.1]hept-2-ene?
2,3-bis(methoxymethyl)-1-methyl-7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 198.26 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(methoxymethyl)-1-methyl-7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 23039781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).