4-(1,3-dioxolan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol

C10H16O4 — CID 23316690

IUPAC4-(1,3-dioxolan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESOC1CC2C(CCC2C2OCCO2)O1
InChIInChI=1S/C10H16O4/c11-9-5-7-6(1-2-8(7)14-9)10-12-3-4-13-10/h6-11H,1-5H2
InChIKeyQKDMIWKYVSFIMV-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.49
Rot. Bonds1

About 4-(1,3-dioxolan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol

4-(1,3-dioxolan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (PubChem CID 23316690) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
PubChem CID23316690
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name4-(1,3-dioxolan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESOC1CC2C(CCC2C2OCCO2)O1
InChIInChI=1S/C10H16O4/c11-9-5-7-6(1-2-8(7)14-9)10-12-3-4-13-10/h6-11H,1-5H2
InChIKeyQKDMIWKYVSFIMV-UHFFFAOYSA-N
XLogP0.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1,3-dioxolan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxolan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The IUPAC name of 4-(1,3-dioxolan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (CID 23316690) is 4-(1,3-dioxolan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is OC1CC2C(CCC2C2OCCO2)O1.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The InChIKey is QKDMIWKYVSFIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c11-9-5-7-6(1-2-8(7)14-9)10-12-3-4-13-10/h6-11H,1-5H2.
What are the key properties of 4-(1,3-dioxolan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
4-(1,3-dioxolan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol has a molecular weight of 200.23 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is sourced from PubChem (CID 23316690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).