2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;1-(2-propan-2-yloxyoxolan-3-yl)ethane-1,2-diol

C15H28O7 — CID 157339017

IUPAC2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;1-(2-propan-2-yloxyoxolan-3-yl)ethane-1,2-diol
SMILESCC(C)OC1OCCC1C(O)CO.OC1COC2OCCC12
InChIInChI=1S/C9H18O4.C6H10O3/c1-6(2)13-9-7(3-4-12-9)8(11)5-10;7-5-3-9-6-4(5)1-2-8-6/h6-11H,3-5H2,1-2H3;4-7H,1-3H2
InChIKeyBGEGUGGTHBATNF-UHFFFAOYSA-N
MW320.38 g/mol
LogP-0.13
Rot. Bonds4

About 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;1-(2-propan-2-yloxyoxolan-3-yl)ethane-1,2-diol

2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;1-(2-propan-2-yloxyoxolan-3-yl)ethane-1,2-diol (PubChem CID 157339017) has the molecular formula C15H28O7 and a molecular weight of 320.38 g/mol. Its IUPAC name is 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;1-(2-propan-2-yloxyoxolan-3-yl)ethane-1,2-diol.

Molecular Properties

Compound Name2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;1-(2-propan-2-yloxyoxolan-3-yl)ethane-1,2-diol
PubChem CID157339017
Molecular FormulaC15H28O7
Molecular Weight320.38 g/mol
Exact Mass320.18
IUPAC Name2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;1-(2-propan-2-yloxyoxolan-3-yl)ethane-1,2-diol
SMILESCC(C)OC1OCCC1C(O)CO.OC1COC2OCCC12
InChIInChI=1S/C9H18O4.C6H10O3/c1-6(2)13-9-7(3-4-12-9)8(11)5-10;7-5-3-9-6-4(5)1-2-8-6/h6-11H,3-5H2,1-2H3;4-7H,1-3H2
InChIKeyBGEGUGGTHBATNF-UHFFFAOYSA-N
XLogP-0.13
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;1-(2-propan-2-yloxyoxolan-3-yl)ethane-1,2-diol with MolForge

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Related Compounds

(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;ethane
CID 142011906
(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;(3aR,4R,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 159842811
(3aR,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 124524160
(3aS,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 69459334
1-(3-hydroxyoxolan-2-yl)ethane-1,2-diol
CID 14057266
(2R,4S,5S)-2-propan-2-yloxyoxane-3,4,5-triol
CID 163413881
2-(1-hydroxypropyl)oxolan-3-ol
CID 20736976
2-propan-2-yloxyoxetane
CID 123446123
(4R,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan
CID 58779336
1-cyclopropyl-2-propan-2-yloxyethanol
CID 58386136
(1R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane
CID 168806691
(2S,3S,4S)-2-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol
CID 11073753

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;1-(2-propan-2-yloxyoxolan-3-yl)ethane-1,2-diol?
The IUPAC name of 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;1-(2-propan-2-yloxyoxolan-3-yl)ethane-1,2-diol (CID 157339017) is 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;1-(2-propan-2-yloxyoxolan-3-yl)ethane-1,2-diol.
What is the SMILES notation for 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;1-(2-propan-2-yloxyoxolan-3-yl)ethane-1,2-diol?
The canonical SMILES for 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;1-(2-propan-2-yloxyoxolan-3-yl)ethane-1,2-diol is CC(C)OC1OCCC1C(O)CO.OC1COC2OCCC12.
What is the InChIKey of 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;1-(2-propan-2-yloxyoxolan-3-yl)ethane-1,2-diol?
The InChIKey is BGEGUGGTHBATNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4.C6H10O3/c1-6(2)13-9-7(3-4-12-9)8(11)5-10;7-5-3-9-6-4(5)1-2-8-6/h6-11H,3-5H2,1-2H3;4-7H,1-3H2.
What are the key properties of 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;1-(2-propan-2-yloxyoxolan-3-yl)ethane-1,2-diol?
2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;1-(2-propan-2-yloxyoxolan-3-yl)ethane-1,2-diol has a molecular weight of 320.38 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;1-(2-propan-2-yloxyoxolan-3-yl)ethane-1,2-diol is sourced from PubChem (CID 157339017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).