3,6-bis(prop-2-ynoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan

C13H16O3 — CID 91005590

IUPAC3,6-bis(prop-2-ynoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESC#CCOC1COC2C(OCC#C)CCC12
InChIInChI=1S/C13H16O3/c1-3-7-14-11-6-5-10-12(15-8-4-2)9-16-13(10)11/h1-2,10-13H,5-9H2
InChIKeyRBCOIFOCFACTMK-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.83
Rot. Bonds4

About 3,6-bis(prop-2-ynoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan

3,6-bis(prop-2-ynoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (PubChem CID 91005590) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3,6-bis(prop-2-ynoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.

Molecular Properties

Compound Name3,6-bis(prop-2-ynoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
PubChem CID91005590
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name3,6-bis(prop-2-ynoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESC#CCOC1COC2C(OCC#C)CCC12
InChIInChI=1S/C13H16O3/c1-3-7-14-11-6-5-10-12(15-8-4-2)9-16-13(10)11/h1-2,10-13H,5-9H2
InChIKeyRBCOIFOCFACTMK-UHFFFAOYSA-N
XLogP0.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(prop-2-ynoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The IUPAC name of 3,6-bis(prop-2-ynoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (CID 91005590) is 3,6-bis(prop-2-ynoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.
What is the SMILES notation for 3,6-bis(prop-2-ynoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The canonical SMILES for 3,6-bis(prop-2-ynoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is C#CCOC1COC2C(OCC#C)CCC12.
What is the InChIKey of 3,6-bis(prop-2-ynoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The InChIKey is RBCOIFOCFACTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-3-7-14-11-6-5-10-12(15-8-4-2)9-16-13(10)11/h1-2,10-13H,5-9H2.
What are the key properties of 3,6-bis(prop-2-ynoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
3,6-bis(prop-2-ynoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan has a molecular weight of 220.27 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(prop-2-ynoxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is sourced from PubChem (CID 91005590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).