[(3R,3aR,6R,6aR)-6-pent-4-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] pent-4-enoate

C16H22O6 — CID 135014560

IUPAC[(3R,3aR,6R,6aR)-6-pent-4-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] pent-4-enoate
SMILESC=CCCC(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)CCC=C
InChIInChI=1S/C16H22O6/c1-3-5-7-13(17)21-11-9-19-16-12(10-20-15(11)16)22-14(18)8-6-4-2/h3-4,11-12,15-16H,1-2,5-10H2/t11-,12-,15-,16-/m1/s1
InChIKeyCGRYAPYFVFGTEU-CZPYZCIJSA-N
MW310.35 g/mol
LogP1.54
Rot. Bonds8

About [(3R,3aR,6R,6aR)-6-pent-4-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] pent-4-enoate

[(3R,3aR,6R,6aR)-6-pent-4-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] pent-4-enoate (PubChem CID 135014560) has the molecular formula C16H22O6 and a molecular weight of 310.35 g/mol. Its IUPAC name is [(3R,3aR,6R,6aR)-6-pent-4-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] pent-4-enoate.

Molecular Properties

Compound Name[(3R,3aR,6R,6aR)-6-pent-4-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] pent-4-enoate
PubChem CID135014560
Molecular FormulaC16H22O6
Molecular Weight310.35 g/mol
Exact Mass310.14
IUPAC Name[(3R,3aR,6R,6aR)-6-pent-4-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] pent-4-enoate
SMILESC=CCCC(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)CCC=C
InChIInChI=1S/C16H22O6/c1-3-5-7-13(17)21-11-9-19-16-12(10-20-15(11)16)22-14(18)8-6-4-2/h3-4,11-12,15-16H,1-2,5-10H2/t11-,12-,15-,16-/m1/s1
InChIKeyCGRYAPYFVFGTEU-CZPYZCIJSA-N
XLogP1.54
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(3R,3aR,6R,6aR)-6-pent-4-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] pent-4-enoate with MolForge

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Related Compounds

[(3aR,4S,6R,6aR)-2,2-dimethyl-4-pent-4-enoyloxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl pent-4-enoate
CID 135014471
[(3S,3aR,6R,6aR)-6-pent-4-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] pent-4-enoate
CID 135014561
[1,2-Bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pent-4-enoyloxyethyl] pent-4-enoate
CID 135015069
[(3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] pent-4-enoate
CID 154709846
(3r,3Ar,6r,6ar)-6-hydroxyhexahydrofuro[3,2-b]furan-3-yl hept-6-enoate
CID 58209433
(3r,3Ar,6r,6ar)-6-hydroxyhexahydrofuro[3,2-b]furan-3-yl hex-5-enoate
CID 59509518
(3-Hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) hept-6-enoate
CID 67050080
(3-Hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) hex-5-enoate
CID 67346753
[(3S,6R)-6-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
CID 68014101
(6-Docosa-4,7,10,13,16,19-hexaenoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) docosa-4,7,10,13,16,19-hexaenoate
CID 77386693
[(3S,3aR,6R,6aR)-6-undec-10-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] undec-10-enoate
CID 102282086
4-[[(3S,3aR,6S,6aR)-3-(4-hydroxypent-4-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-oxobutanoic acid
CID 118404290

Frequently Asked Questions

What is the IUPAC name of [(3R,3aR,6R,6aR)-6-pent-4-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] pent-4-enoate?
The IUPAC name of [(3R,3aR,6R,6aR)-6-pent-4-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] pent-4-enoate (CID 135014560) is [(3R,3aR,6R,6aR)-6-pent-4-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] pent-4-enoate.
What is the SMILES notation for [(3R,3aR,6R,6aR)-6-pent-4-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] pent-4-enoate?
The canonical SMILES for [(3R,3aR,6R,6aR)-6-pent-4-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] pent-4-enoate is C=CCCC(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)CCC=C.
What is the InChIKey of [(3R,3aR,6R,6aR)-6-pent-4-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] pent-4-enoate?
The InChIKey is CGRYAPYFVFGTEU-CZPYZCIJSA-N. The full InChI is InChI=1S/C16H22O6/c1-3-5-7-13(17)21-11-9-19-16-12(10-20-15(11)16)22-14(18)8-6-4-2/h3-4,11-12,15-16H,1-2,5-10H2/t11-,12-,15-,16-/m1/s1.
What are the key properties of [(3R,3aR,6R,6aR)-6-pent-4-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] pent-4-enoate?
[(3R,3aR,6R,6aR)-6-pent-4-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] pent-4-enoate has a molecular weight of 310.35 g/mol, XLogP of 1.54, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aR,6R,6aR)-6-pent-4-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] pent-4-enoate is sourced from PubChem (CID 135014560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).