2,3-dioxabicyclo[3.2.1]octan-4-ol

C6H10O3 — CID 176685712

IUPAC2,3-dioxabicyclo[3.2.1]octan-4-ol
SMILESOC1OOC2CCC1C2
InChIInChI=1S/C6H10O3/c7-6-4-1-2-5(3-4)8-9-6/h4-7H,1-3H2
InChIKeyKVSVLIRSOCJUMY-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.44
Rot. Bonds

About 2,3-dioxabicyclo[3.2.1]octan-4-ol

2,3-dioxabicyclo[3.2.1]octan-4-ol (PubChem CID 176685712) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 2,3-dioxabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name2,3-dioxabicyclo[3.2.1]octan-4-ol
PubChem CID176685712
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name2,3-dioxabicyclo[3.2.1]octan-4-ol
SMILESOC1OOC2CCC1C2
InChIInChI=1S/C6H10O3/c7-6-4-1-2-5(3-4)8-9-6/h4-7H,1-3H2
InChIKeyKVSVLIRSOCJUMY-UHFFFAOYSA-N
XLogP0.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tricyclo[4.3.1.13,8]undecane-2,7-diol
CID 12673622
(1R,6S)-3,3-dimethyl-2-oxa-3-silabicyclo[3.3.1]nonan-6-ol
CID 101354321
2-(2-oxabicyclo[2.2.1]heptan-3-yl)acetamide
CID 140547775
(4S,5S)-tricyclo[6.2.1.02,7]undecane-4,5-diol
CID 166987475
(3R)-4-oxatricyclo[5.2.1.02,6]decan-3-ol
CID 169044740
(2R,6R)-tricyclo[4.2.1.12,5]decane
CID 134081586
(1R,3R,6R,8R)-tricyclo[4.4.0.03,8]decane
CID 91618084
7-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol
CID 134855564
2,2-dimethyl-3a,3b,4,5,6,6a,7,7a-octahydropentaleno[1,2-d][1,3]dioxol-4-ol
CID 14060648
tricyclo[5.3.1.04,11]undecan-9-ol
CID 12869779
5-(1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-5-yl)-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran
CID 143811684
(2S)-bicyclo[3.1.0]hexan-2-ol
CID 145089467

Frequently Asked Questions

What is the IUPAC name of 2,3-dioxabicyclo[3.2.1]octan-4-ol?
The IUPAC name of 2,3-dioxabicyclo[3.2.1]octan-4-ol (CID 176685712) is 2,3-dioxabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for 2,3-dioxabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for 2,3-dioxabicyclo[3.2.1]octan-4-ol is OC1OOC2CCC1C2.
What is the InChIKey of 2,3-dioxabicyclo[3.2.1]octan-4-ol?
The InChIKey is KVSVLIRSOCJUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c7-6-4-1-2-5(3-4)8-9-6/h4-7H,1-3H2.
What are the key properties of 2,3-dioxabicyclo[3.2.1]octan-4-ol?
2,3-dioxabicyclo[3.2.1]octan-4-ol has a molecular weight of 130.14 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dioxabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 176685712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).