3,6-bis(prop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C12H18O4 — CID 69380631

IUPAC3,6-bis(prop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCC=COC1COC2C(OC=CC)COC12
InChIInChI=1S/C12H18O4/c1-3-5-13-9-7-15-12-10(14-6-4-2)8-16-11(9)12/h3-6,9-12H,7-8H2,1-2H3
InChIKeyKYOFJYPNENAQCS-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.62
Rot. Bonds4

About 3,6-bis(prop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

3,6-bis(prop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 69380631) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 3,6-bis(prop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name3,6-bis(prop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID69380631
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name3,6-bis(prop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCC=COC1COC2C(OC=CC)COC12
InChIInChI=1S/C12H18O4/c1-3-5-13-9-7-15-12-10(14-6-4-2)8-16-11(9)12/h3-6,9-12H,7-8H2,1-2H3
InChIKeyKYOFJYPNENAQCS-UHFFFAOYSA-N
XLogP1.62
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(prop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of 3,6-bis(prop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 69380631) is 3,6-bis(prop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for 3,6-bis(prop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for 3,6-bis(prop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is CC=COC1COC2C(OC=CC)COC12.
What is the InChIKey of 3,6-bis(prop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is KYOFJYPNENAQCS-UHFFFAOYSA-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/h3-6,9-12H,7-8H2,1-2H3.
What are the key properties of 3,6-bis(prop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
3,6-bis(prop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 226.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(prop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 69380631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).