4-methyl-6,7-dioxabicyclo[3.2.2]non-2-ene

C8H12O2 — CID 135042057

IUPAC4-methyl-6,7-dioxabicyclo[3.2.2]non-2-ene
SMILESCC1C=CC2CCC1OO2
InChIInChI=1S/C8H12O2/c1-6-2-3-7-4-5-8(6)10-9-7/h2-3,6-8H,4-5H2,1H3
InChIKeyHHLMBKIFHUTGSN-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.67
Rot. Bonds

About 4-methyl-6,7-dioxabicyclo[3.2.2]non-2-ene

4-methyl-6,7-dioxabicyclo[3.2.2]non-2-ene (PubChem CID 135042057) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 4-methyl-6,7-dioxabicyclo[3.2.2]non-2-ene.

Molecular Properties

Compound Name4-methyl-6,7-dioxabicyclo[3.2.2]non-2-ene
PubChem CID135042057
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name4-methyl-6,7-dioxabicyclo[3.2.2]non-2-ene
SMILESCC1C=CC2CCC1OO2
InChIInChI=1S/C8H12O2/c1-6-2-3-7-4-5-8(6)10-9-7/h2-3,6-8H,4-5H2,1H3
InChIKeyHHLMBKIFHUTGSN-UHFFFAOYSA-N
XLogP1.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6,7-dioxabicyclo[3.2.2]non-2-ene?
The IUPAC name of 4-methyl-6,7-dioxabicyclo[3.2.2]non-2-ene (CID 135042057) is 4-methyl-6,7-dioxabicyclo[3.2.2]non-2-ene.
What is the SMILES notation for 4-methyl-6,7-dioxabicyclo[3.2.2]non-2-ene?
The canonical SMILES for 4-methyl-6,7-dioxabicyclo[3.2.2]non-2-ene is CC1C=CC2CCC1OO2.
What is the InChIKey of 4-methyl-6,7-dioxabicyclo[3.2.2]non-2-ene?
The InChIKey is HHLMBKIFHUTGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-2-3-7-4-5-8(6)10-9-7/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 4-methyl-6,7-dioxabicyclo[3.2.2]non-2-ene?
4-methyl-6,7-dioxabicyclo[3.2.2]non-2-ene has a molecular weight of 140.18 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6,7-dioxabicyclo[3.2.2]non-2-ene is sourced from PubChem (CID 135042057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).