2-(4,5-diethoxy-1,3-dioxolan-2-yl)-1,3-dioxolane-4,5-diol

C10H18O8 — CID 86153336

IUPAC2-(4,5-diethoxy-1,3-dioxolan-2-yl)-1,3-dioxolane-4,5-diol
SMILESCCOC1OC(C2OC(O)C(O)O2)OC1OCC
InChIInChI=1S/C10H18O8/c1-3-13-7-8(14-4-2)18-10(17-7)9-15-5(11)6(12)16-9/h5-12H,3-4H2,1-2H3
InChIKeyMKTHHNDYTPCCIB-UHFFFAOYSA-N
MW266.25 g/mol
LogP-0.91
Rot. Bonds5

About 2-(4,5-diethoxy-1,3-dioxolan-2-yl)-1,3-dioxolane-4,5-diol

2-(4,5-diethoxy-1,3-dioxolan-2-yl)-1,3-dioxolane-4,5-diol (PubChem CID 86153336) has the molecular formula C10H18O8 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-(4,5-diethoxy-1,3-dioxolan-2-yl)-1,3-dioxolane-4,5-diol.

Molecular Properties

Compound Name2-(4,5-diethoxy-1,3-dioxolan-2-yl)-1,3-dioxolane-4,5-diol
PubChem CID86153336
Molecular FormulaC10H18O8
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Name2-(4,5-diethoxy-1,3-dioxolan-2-yl)-1,3-dioxolane-4,5-diol
SMILESCCOC1OC(C2OC(O)C(O)O2)OC1OCC
InChIInChI=1S/C10H18O8/c1-3-13-7-8(14-4-2)18-10(17-7)9-15-5(11)6(12)16-9/h5-12H,3-4H2,1-2H3
InChIKeyMKTHHNDYTPCCIB-UHFFFAOYSA-N
XLogP-0.91
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-diethoxy-1,3-dioxolan-2-yl)-1,3-dioxolane-4,5-diol?
The IUPAC name of 2-(4,5-diethoxy-1,3-dioxolan-2-yl)-1,3-dioxolane-4,5-diol (CID 86153336) is 2-(4,5-diethoxy-1,3-dioxolan-2-yl)-1,3-dioxolane-4,5-diol.
What is the SMILES notation for 2-(4,5-diethoxy-1,3-dioxolan-2-yl)-1,3-dioxolane-4,5-diol?
The canonical SMILES for 2-(4,5-diethoxy-1,3-dioxolan-2-yl)-1,3-dioxolane-4,5-diol is CCOC1OC(C2OC(O)C(O)O2)OC1OCC.
What is the InChIKey of 2-(4,5-diethoxy-1,3-dioxolan-2-yl)-1,3-dioxolane-4,5-diol?
The InChIKey is MKTHHNDYTPCCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O8/c1-3-13-7-8(14-4-2)18-10(17-7)9-15-5(11)6(12)16-9/h5-12H,3-4H2,1-2H3.
What are the key properties of 2-(4,5-diethoxy-1,3-dioxolan-2-yl)-1,3-dioxolane-4,5-diol?
2-(4,5-diethoxy-1,3-dioxolan-2-yl)-1,3-dioxolane-4,5-diol has a molecular weight of 266.25 g/mol, XLogP of -0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diethoxy-1,3-dioxolan-2-yl)-1,3-dioxolane-4,5-diol is sourced from PubChem (CID 86153336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).