3,6,10-trioxabicyclo[6.5.0]tridecane-7,13-diol

C10H18O5 — CID 22887334

IUPAC3,6,10-trioxabicyclo[6.5.0]tridecane-7,13-diol
SMILESOC1CCOCC2C(O)OCCOCC12
InChIInChI=1S/C10H18O5/c11-9-1-2-13-6-8-7(9)5-14-3-4-15-10(8)12/h7-12H,1-6H2
InChIKeyLEVJVIDVFYMWRX-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.63
Rot. Bonds

About 3,6,10-trioxabicyclo[6.5.0]tridecane-7,13-diol

3,6,10-trioxabicyclo[6.5.0]tridecane-7,13-diol (PubChem CID 22887334) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 3,6,10-trioxabicyclo[6.5.0]tridecane-7,13-diol.

Molecular Properties

Compound Name3,6,10-trioxabicyclo[6.5.0]tridecane-7,13-diol
PubChem CID22887334
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name3,6,10-trioxabicyclo[6.5.0]tridecane-7,13-diol
SMILESOC1CCOCC2C(O)OCCOCC12
InChIInChI=1S/C10H18O5/c11-9-1-2-13-6-8-7(9)5-14-3-4-15-10(8)12/h7-12H,1-6H2
InChIKeyLEVJVIDVFYMWRX-UHFFFAOYSA-N
XLogP-0.63
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(methylamino)oxan-4-ol
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3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)oxan-4-ol
CID 102894030
N-[(3S,4S)-4-hydroxyoxan-3-yl]carbamoyl iodide
CID 122536495
4-(oxolan-3-yl)thiolan-3-ol
CID 83191232
(3S,4R)-4-(methylamino)oxan-3-ol
CID 68677504
CID 170516792
CID 170516792
(3R)-oxolan-3-ol;hydrochloride
CID 101043602
(3S)-3-[(2R)-oxiran-2-yl]oxolane
CID 94590793
3-(2-hydroxyethyl)oxan-4-ol
CID 58654187

Frequently Asked Questions

What is the IUPAC name of 3,6,10-trioxabicyclo[6.5.0]tridecane-7,13-diol?
The IUPAC name of 3,6,10-trioxabicyclo[6.5.0]tridecane-7,13-diol (CID 22887334) is 3,6,10-trioxabicyclo[6.5.0]tridecane-7,13-diol.
What is the SMILES notation for 3,6,10-trioxabicyclo[6.5.0]tridecane-7,13-diol?
The canonical SMILES for 3,6,10-trioxabicyclo[6.5.0]tridecane-7,13-diol is OC1CCOCC2C(O)OCCOCC12.
What is the InChIKey of 3,6,10-trioxabicyclo[6.5.0]tridecane-7,13-diol?
The InChIKey is LEVJVIDVFYMWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c11-9-1-2-13-6-8-7(9)5-14-3-4-15-10(8)12/h7-12H,1-6H2.
What are the key properties of 3,6,10-trioxabicyclo[6.5.0]tridecane-7,13-diol?
3,6,10-trioxabicyclo[6.5.0]tridecane-7,13-diol has a molecular weight of 218.25 g/mol, XLogP of -0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,10-trioxabicyclo[6.5.0]tridecane-7,13-diol is sourced from PubChem (CID 22887334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).