ethane;2-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptane-4,5-diol

C8H16O5 — CID 143692870

IUPACethane;2-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptane-4,5-diol
SMILESCC.OCC1OC(O)C(O)C2OC12
InChIInChI=1S/C6H10O5.C2H6/c7-1-2-4-5(11-4)3(8)6(9)10-2;1-2/h2-9H,1H2;1-2H3
InChIKeyGIZHFUIORZYMJV-UHFFFAOYSA-N
MW192.21 g/mol
LogP-1.15
Rot. Bonds1

About ethane;2-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptane-4,5-diol

ethane;2-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptane-4,5-diol (PubChem CID 143692870) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is ethane;2-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptane-4,5-diol.

Molecular Properties

Compound Nameethane;2-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptane-4,5-diol
PubChem CID143692870
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Nameethane;2-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptane-4,5-diol
SMILESCC.OCC1OC(O)C(O)C2OC12
InChIInChI=1S/C6H10O5.C2H6/c7-1-2-4-5(11-4)3(8)6(9)10-2;1-2/h2-9H,1H2;1-2H3
InChIKeyGIZHFUIORZYMJV-UHFFFAOYSA-N
XLogP-1.15
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(1R,2R,4R,5R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-ol
CID 141076482
4-(hydroxymethyl)-2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol
CID 171620815
(1R,2R,4S,5R,6S)-2-(hydroxymethyl)-4-methoxy-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 102017861
(2S)-4-(hydroxymethyl)oxetane-2,3-diol
CID 130341188
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593

Frequently Asked Questions

What is the IUPAC name of ethane;2-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptane-4,5-diol?
The IUPAC name of ethane;2-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptane-4,5-diol (CID 143692870) is ethane;2-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptane-4,5-diol.
What is the SMILES notation for ethane;2-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptane-4,5-diol?
The canonical SMILES for ethane;2-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptane-4,5-diol is CC.OCC1OC(O)C(O)C2OC12.
What is the InChIKey of ethane;2-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptane-4,5-diol?
The InChIKey is GIZHFUIORZYMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5.C2H6/c7-1-2-4-5(11-4)3(8)6(9)10-2;1-2/h2-9H,1H2;1-2H3.
What are the key properties of ethane;2-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptane-4,5-diol?
ethane;2-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptane-4,5-diol has a molecular weight of 192.21 g/mol, XLogP of -1.15, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptane-4,5-diol is sourced from PubChem (CID 143692870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).