[(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate

C10H16O4 — CID 137484809

IUPAC[(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate
SMILESCC(C)C(=O)O[C@H]1CO[C@@H]2CCO[C@H]12
InChIInChI=1S/C10H16O4/c1-6(2)10(11)14-8-5-13-7-3-4-12-9(7)8/h6-9H,3-5H2,1-2H3/t7-,8+,9+/m1/s1
InChIKeyFYXGTADCDBDESW-VGMNWLOBSA-N
MW200.23 g/mol
LogP0.74
Rot. Bonds2

About [(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate

[(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate (PubChem CID 137484809) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is [(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate.

Molecular Properties

Compound Name[(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate
PubChem CID137484809
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name[(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate
SMILESCC(C)C(=O)O[C@H]1CO[C@@H]2CCO[C@H]12
InChIInChI=1S/C10H16O4/c1-6(2)10(11)14-8-5-13-7-3-4-12-9(7)8/h6-9H,3-5H2,1-2H3/t7-,8+,9+/m1/s1
InChIKeyFYXGTADCDBDESW-VGMNWLOBSA-N
XLogP0.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate with MolForge

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Related Compounds

[(6S)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate
CID 118882980
(3-propanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 2-methylpropanoate
CID 118047556
[(3aR,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] (Z)-4-oxopent-2-enoate
CID 144610374
[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-aminobutanoate
CID 176676244
(Z)-4-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-oxobut-2-enoic acid
CID 144610402
[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] prop-2-enoate;prop-2-enoic acid
CID 168912916
4-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxycarbonyl)-2,3-diethyl-2,3-di(propan-2-yl)cyclobutane-1-carboxylic acid
CID 123183159
O-[(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]hydroxylamine;propane
CID 176698149
3-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yloxy)-3-oxoprop-1-ene-1-sulfinic acid
CID 123808483
[(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxymethanol
CID 137446456
[(3aR,6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-ethylphenyl)carbamate
CID 163669562
[4-[[(6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyl]phenyl] 4-methoxybenzoate
CID 155032219

Frequently Asked Questions

What is the IUPAC name of [(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate?
The IUPAC name of [(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate (CID 137484809) is [(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate.
What is the SMILES notation for [(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate?
The canonical SMILES for [(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate is CC(C)C(=O)O[C@H]1CO[C@@H]2CCO[C@H]12.
What is the InChIKey of [(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate?
The InChIKey is FYXGTADCDBDESW-VGMNWLOBSA-N. The full InChI is InChI=1S/C10H16O4/c1-6(2)10(11)14-8-5-13-7-3-4-12-9(7)8/h6-9H,3-5H2,1-2H3/t7-,8+,9+/m1/s1.
What are the key properties of [(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate?
[(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate has a molecular weight of 200.23 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate is sourced from PubChem (CID 137484809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).