ethane-1,2-diol;furan-2-carbaldehyde;2-(furan-2-yl)-1,3-dioxolane

C14H18O7 — CID 159021509

IUPACethane-1,2-diol;furan-2-carbaldehyde;2-(furan-2-yl)-1,3-dioxolane
SMILESO=Cc1ccco1.OCCO.c1coc(C2OCCO2)c1
InChIInChI=1S/C7H8O3.C5H4O2.C2H6O2/c1-2-6(8-3-1)7-9-4-5-10-7;6-4-5-2-1-3-7-5;3-1-2-4/h1-3,7H,4-5H2;1-4H;3-4H,1-2H2
InChIKeyJTTKZGGFFHAOPD-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.39
Rot. Bonds3

About ethane-1,2-diol;furan-2-carbaldehyde;2-(furan-2-yl)-1,3-dioxolane

ethane-1,2-diol;furan-2-carbaldehyde;2-(furan-2-yl)-1,3-dioxolane (PubChem CID 159021509) has the molecular formula C14H18O7 and a molecular weight of 298.29 g/mol. Its IUPAC name is ethane-1,2-diol;furan-2-carbaldehyde;2-(furan-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Nameethane-1,2-diol;furan-2-carbaldehyde;2-(furan-2-yl)-1,3-dioxolane
PubChem CID159021509
Molecular FormulaC14H18O7
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Nameethane-1,2-diol;furan-2-carbaldehyde;2-(furan-2-yl)-1,3-dioxolane
SMILESO=Cc1ccco1.OCCO.c1coc(C2OCCO2)c1
InChIInChI=1S/C7H8O3.C5H4O2.C2H6O2/c1-2-6(8-3-1)7-9-4-5-10-7;6-4-5-2-1-3-7-5;3-1-2-4/h1-3,7H,4-5H2;1-4H;3-4H,1-2H2
InChIKeyJTTKZGGFFHAOPD-UHFFFAOYSA-N
XLogP1.39
TPSA102.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

furan-2-carbaldehyde
CID 76972982
furan-2-carbaldehyde;nickel
CID 174724529
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CID 175710332
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CID 19372392
cyclohexanol;furan-2-carbaldehyde
CID 163769843
CID 171374623
CID 171374623
furan-2-carbaldehyde;methoxymethane
CID 175302588
formaldehyde;furan-2-carbaldehyde;propan-2-one
CID 159909330
2-chloro-4-(2-hydroxyethyl)phenol;furan-2-carbaldehyde
CID 88776211
furan-2-carbaldehyde phosphate
CID 20507502
[5-ethyl-2-(furan-2-yl)-1,3-dioxan-5-yl]methanol
CID 566076
furan-2-carbaldehyde;3H-furan-2-one
CID 162124020

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;furan-2-carbaldehyde;2-(furan-2-yl)-1,3-dioxolane?
The IUPAC name of ethane-1,2-diol;furan-2-carbaldehyde;2-(furan-2-yl)-1,3-dioxolane (CID 159021509) is ethane-1,2-diol;furan-2-carbaldehyde;2-(furan-2-yl)-1,3-dioxolane.
What is the SMILES notation for ethane-1,2-diol;furan-2-carbaldehyde;2-(furan-2-yl)-1,3-dioxolane?
The canonical SMILES for ethane-1,2-diol;furan-2-carbaldehyde;2-(furan-2-yl)-1,3-dioxolane is O=Cc1ccco1.OCCO.c1coc(C2OCCO2)c1.
What is the InChIKey of ethane-1,2-diol;furan-2-carbaldehyde;2-(furan-2-yl)-1,3-dioxolane?
The InChIKey is JTTKZGGFFHAOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3.C5H4O2.C2H6O2/c1-2-6(8-3-1)7-9-4-5-10-7;6-4-5-2-1-3-7-5;3-1-2-4/h1-3,7H,4-5H2;1-4H;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;furan-2-carbaldehyde;2-(furan-2-yl)-1,3-dioxolane?
ethane-1,2-diol;furan-2-carbaldehyde;2-(furan-2-yl)-1,3-dioxolane has a molecular weight of 298.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;furan-2-carbaldehyde;2-(furan-2-yl)-1,3-dioxolane is sourced from PubChem (CID 159021509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).