(3S,6R)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C12H18O4 — CID 90211695

IUPAC(3S,6R)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESC=CCO[C@H]1COC2C1OC[C@H]2OCC=C
InChIInChI=1S/C12H18O4/c1-3-5-13-9-7-15-12-10(14-6-4-2)8-16-11(9)12/h3-4,9-12H,1-2,5-8H2/t9-,10+,11?,12?
InChIKeyVPRMGOPLYBDBLB-ZYANWLCNSA-N
MW226.27 g/mol
LogP0.93
Rot. Bonds6

About (3S,6R)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

(3S,6R)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 90211695) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is (3S,6R)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3S,6R)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID90211695
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name(3S,6R)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESC=CCO[C@H]1COC2C1OC[C@H]2OCC=C
InChIInChI=1S/C12H18O4/c1-3-5-13-9-7-15-12-10(14-6-4-2)8-16-11(9)12/h3-4,9-12H,1-2,5-8H2/t9-,10+,11?,12?
InChIKeyVPRMGOPLYBDBLB-ZYANWLCNSA-N
XLogP0.93
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,6R)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3S,6R)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 90211695) is (3S,6R)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3S,6R)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3S,6R)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is C=CCO[C@H]1COC2C1OC[C@H]2OCC=C.
What is the InChIKey of (3S,6R)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is VPRMGOPLYBDBLB-ZYANWLCNSA-N. The full InChI is InChI=1S/C12H18O4/c1-3-5-13-9-7-15-12-10(14-6-4-2)8-16-11(9)12/h3-4,9-12H,1-2,5-8H2/t9-,10+,11?,12?.
What are the key properties of (3S,6R)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3S,6R)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 226.27 g/mol, XLogP of 0.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 90211695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).