3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene

C8H12O2 — CID 58971980

IUPAC3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene
SMILESCC1(C)OC2C=CC(C2)O1
InChIInChI=1S/C8H12O2/c1-8(2)9-6-3-4-7(5-6)10-8/h3-4,6-7H,5H2,1-2H3
InChIKeyVSGYWFIZBCVSKH-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.47
Rot. Bonds

About 3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene

3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene (PubChem CID 58971980) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene.

Molecular Properties

Compound Name3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene
PubChem CID58971980
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene
SMILESCC1(C)OC2C=CC(C2)O1
InChIInChI=1S/C8H12O2/c1-8(2)9-6-3-4-7(5-6)10-8/h3-4,6-7H,5H2,1-2H3
InChIKeyVSGYWFIZBCVSKH-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-Dehydrobrevicomin
CID 536095
2,3-Dehydrobrevicomin
CID 125991
(1R,5S,7R)-7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]oct-3-ene
CID 10986460
4-Nonene, 1,1,3-triethoxy-
CID 6450414
6-Fluoro-3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene
CID 58971993
chloro-[[(2S,4S,6R)-2-ethyl-6-[(E)-prop-1-enyl]-1,3-dioxan-4-yl]methyl]mercury
CID 11036904
4-Propenyl-1,3-dioxane
CID 11137179
[(1R,4S)-4-methoxycarbonyloxycyclopent-2-en-1-yl] methyl carbonate
CID 11390289
4,4,6-Triethoxy-2-hexene
CID 129805231
3-Triethoxy-4-hexene
CID 129812353
chloro-[[(4S,6R)-2,2-dimethyl-6-[(E)-3-methylbut-1-enyl]-1,3-dioxan-4-yl]methyl]mercury
CID 134986351
2-Methyl-4-pentenyl-1,3-dioxane
CID 168477878

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene?
The IUPAC name of 3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene (CID 58971980) is 3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene.
What is the SMILES notation for 3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene?
The canonical SMILES for 3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene is CC1(C)OC2C=CC(C2)O1.
What is the InChIKey of 3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene?
The InChIKey is VSGYWFIZBCVSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-8(2)9-6-3-4-7(5-6)10-8/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene?
3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene has a molecular weight of 140.18 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2,4-dioxabicyclo[3.2.1]oct-6-ene is sourced from PubChem (CID 58971980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).