[(4R)-5-prop-2-ynoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate

C11H14O5 — CID 130240721

IUPAC[(4R)-5-prop-2-ynoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate
SMILESC#CCOC1OC2OCCC2[C@H]1OC(C)=O
InChIInChI=1S/C11H14O5/c1-3-5-13-11-9(15-7(2)12)8-4-6-14-10(8)16-11/h1,8-11H,4-6H2,2H3/t8?,9-,10?,11?/m1/s1
InChIKeyAWVYIEVFYPZWGQ-XJPQQVLCSA-N
MW226.23 g/mol
LogP0.29
Rot. Bonds3

About [(4R)-5-prop-2-ynoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate

[(4R)-5-prop-2-ynoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate (PubChem CID 130240721) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is [(4R)-5-prop-2-ynoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate.

Molecular Properties

Compound Name[(4R)-5-prop-2-ynoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate
PubChem CID130240721
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name[(4R)-5-prop-2-ynoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate
SMILESC#CCOC1OC2OCCC2[C@H]1OC(C)=O
InChIInChI=1S/C11H14O5/c1-3-5-13-11-9(15-7(2)12)8-4-6-14-10(8)16-11/h1,8-11H,4-6H2,2H3/t8?,9-,10?,11?/m1/s1
InChIKeyAWVYIEVFYPZWGQ-XJPQQVLCSA-N
XLogP0.29
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(4R)-5-prop-2-ynoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R,6R)-5-acetyloxy-4-hydroxy-2-methyl-6-prop-2-ynoxyoxan-3-yl] acetate
CID 146170073
[(3S,6S)-4,5-diacetyloxy-6-[(3S,6R)-4,5-diacetyloxy-2-methyl-6-prop-2-ynoxyoxan-3-yl]oxy-2-methyloxan-3-yl] acetate
CID 146170003
[(2R,3R,6R)-3,4,5-triacetyloxy-6-prop-2-ynoxyoxan-2-yl]methyl acetate
CID 147794309
(4,5-diacetyloxy-3-hydroxy-6-prop-2-ynoxyoxan-2-yl)methyl acetate
CID 134186031
[4,5-diacetyloxy-6-prop-2-ynoxy-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
CID 134865251
[(3R,4S,6R)-5-acetyloxy-2,3-dimethyl-6-(4-prop-2-ynoxybutoxy)oxan-4-yl] acetate
CID 158801217
[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36R,38R,40R,41S,42R,43S,44R,45S,46R,47S,48R,49S,50R,51S,52R,53S,54R,55S,56R)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,56-pentadecaacetyloxy-10,15,20,25,30,35,40-heptakis(acetyloxymethyl)-55-prop-2-ynoxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-5-yl]methyl acetate
CID 71528679
[(2S,3R,4R,5R)-5-ethyl-4-methyl-3-prop-2-ynoxyoxolan-2-yl] acetate
CID 159248254
[(2R,3R,4S,5S,6R)-3,4-diacetyloxy-6-prop-2-ynoxy-5-(trifluoromethylsulfonyloxy)oxan-2-yl]methyl acetate
CID 101465001
(2R,3R)-3-bromo-2-prop-2-ynoxyoxolane
CID 98006016
3-chloro-2-prop-2-ynoxyoxolane
CID 4110216
[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate
CID 170905630

Frequently Asked Questions

What is the IUPAC name of [(4R)-5-prop-2-ynoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate?
The IUPAC name of [(4R)-5-prop-2-ynoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate (CID 130240721) is [(4R)-5-prop-2-ynoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate.
What is the SMILES notation for [(4R)-5-prop-2-ynoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate?
The canonical SMILES for [(4R)-5-prop-2-ynoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate is C#CCOC1OC2OCCC2[C@H]1OC(C)=O.
What is the InChIKey of [(4R)-5-prop-2-ynoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate?
The InChIKey is AWVYIEVFYPZWGQ-XJPQQVLCSA-N. The full InChI is InChI=1S/C11H14O5/c1-3-5-13-11-9(15-7(2)12)8-4-6-14-10(8)16-11/h1,8-11H,4-6H2,2H3/t8?,9-,10?,11?/m1/s1.
What are the key properties of [(4R)-5-prop-2-ynoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate?
[(4R)-5-prop-2-ynoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate has a molecular weight of 226.23 g/mol, XLogP of 0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-5-prop-2-ynoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] acetate is sourced from PubChem (CID 130240721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).