[(3S,6R)-6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate

C14H18O6 — CID 10236363

IUPAC[(3S,6R)-6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[C@H]1COC2C1OC[C@H]2OC(=O)C(=C)C
InChIInChI=1S/C14H18O6/c1-7(2)13(15)19-9-5-17-12-10(6-18-11(9)12)20-14(16)8(3)4/h9-12H,1,3,5-6H2,2,4H3/t9-,10+,11?,12?
InChIKeyPFRZAAUSRRCGRN-ZYANWLCNSA-N
MW282.29 g/mol
LogP0.76
Rot. Bonds4

About [(3S,6R)-6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate

[(3S,6R)-6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate (PubChem CID 10236363) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is [(3S,6R)-6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(3S,6R)-6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate
PubChem CID10236363
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Name[(3S,6R)-6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[C@H]1COC2C1OC[C@H]2OC(=O)C(=C)C
InChIInChI=1S/C14H18O6/c1-7(2)13(15)19-9-5-17-12-10(6-18-11(9)12)20-14(16)8(3)4/h9-12H,1,3,5-6H2,2,4H3/t9-,10+,11?,12?
InChIKeyPFRZAAUSRRCGRN-ZYANWLCNSA-N
XLogP0.76
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3S,6R)-6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate?
The IUPAC name of [(3S,6R)-6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate (CID 10236363) is [(3S,6R)-6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [(3S,6R)-6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate?
The canonical SMILES for [(3S,6R)-6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate is C=C(C)C(=O)O[C@H]1COC2C1OC[C@H]2OC(=O)C(=C)C.
What is the InChIKey of [(3S,6R)-6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate?
The InChIKey is PFRZAAUSRRCGRN-ZYANWLCNSA-N. The full InChI is InChI=1S/C14H18O6/c1-7(2)13(15)19-9-5-17-12-10(6-18-11(9)12)20-14(16)8(3)4/h9-12H,1,3,5-6H2,2,4H3/t9-,10+,11?,12?.
What are the key properties of [(3S,6R)-6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate?
[(3S,6R)-6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate has a molecular weight of 282.29 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,6R)-6-(2-methylprop-2-enoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 10236363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).