6,8-dioxabicyclo[3.2.1]oct-2-en-4-ol

C6H8O3 — CID 14585265

IUPAC6,8-dioxabicyclo[3.2.1]oct-2-en-4-ol
SMILESOC1C=CC2COC1O2
InChIInChI=1S/C6H8O3/c7-5-2-1-4-3-8-6(5)9-4/h1-2,4-7H,3H2
InChIKeyLPADRPJZOJHCDL-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.34
Rot. Bonds

About 6,8-dioxabicyclo[3.2.1]oct-2-en-4-ol

6,8-dioxabicyclo[3.2.1]oct-2-en-4-ol (PubChem CID 14585265) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 6,8-dioxabicyclo[3.2.1]oct-2-en-4-ol.

Molecular Properties

Compound Name6,8-dioxabicyclo[3.2.1]oct-2-en-4-ol
PubChem CID14585265
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name6,8-dioxabicyclo[3.2.1]oct-2-en-4-ol
SMILESOC1C=CC2COC1O2
InChIInChI=1S/C6H8O3/c7-5-2-1-4-3-8-6(5)9-4/h1-2,4-7H,3H2
InChIKeyLPADRPJZOJHCDL-UHFFFAOYSA-N
XLogP-0.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

beta-D-erythro-Hex-2-enopyranose, 1,6-anhydro-2,3-dideoxy-
CID 10942437
(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)methanol
CID 13011793
1,6-anhydro-3,4-dideoxy-beta-D-threo-hex-3-enopyranose
CID 11804774
6,8-Dioxabicyclo[3.2.1]oct-3-ene
CID 557134
(2S,3S,6R)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran-3-ol
CID 11008031
1,6-Anhydro-3-bromo-3,4-dideoxy-beta-d-threo-hex-3-enopyranose
CID 21599299
(S)-4,5-isopropylidene-2-pentenol
CID 11008188
5-Hydroxy-2-methoxy-5,6-dihydro-2h-pyran
CID 11400783
6,8-Dioxabicyclo[3.2.1]oct-2-ene
CID 13438401
1,6-anhydro-3,4-dideoxy-2-O-methyl-beta-d-threo-hex-3-enopyranose
CID 21595655
2,6-Dioxabicyclo[3.1.0]hex-3-en-3-ylmethanol
CID 134860457
1,6-anhydro-3,4-dideoxy-beta-D-erythro-hex-3-enopyranose
CID 14585268

Frequently Asked Questions

What is the IUPAC name of 6,8-dioxabicyclo[3.2.1]oct-2-en-4-ol?
The IUPAC name of 6,8-dioxabicyclo[3.2.1]oct-2-en-4-ol (CID 14585265) is 6,8-dioxabicyclo[3.2.1]oct-2-en-4-ol.
What is the SMILES notation for 6,8-dioxabicyclo[3.2.1]oct-2-en-4-ol?
The canonical SMILES for 6,8-dioxabicyclo[3.2.1]oct-2-en-4-ol is OC1C=CC2COC1O2.
What is the InChIKey of 6,8-dioxabicyclo[3.2.1]oct-2-en-4-ol?
The InChIKey is LPADRPJZOJHCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c7-5-2-1-4-3-8-6(5)9-4/h1-2,4-7H,3H2.
What are the key properties of 6,8-dioxabicyclo[3.2.1]oct-2-en-4-ol?
6,8-dioxabicyclo[3.2.1]oct-2-en-4-ol has a molecular weight of 128.13 g/mol, XLogP of -0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dioxabicyclo[3.2.1]oct-2-en-4-ol is sourced from PubChem (CID 14585265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).