5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3,4,5-tetrahydroxypentanal

C10H18O7 — CID 58890568

IUPAC5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3,4,5-tetrahydroxypentanal
SMILESCC1(C)OCC(C(O)C(O)C(O)C(O)C=O)O1
InChIInChI=1S/C10H18O7/c1-10(2)16-4-6(17-10)8(14)9(15)7(13)5(12)3-11/h3,5-9,12-15H,4H2,1-2H3
InChIKeyUJNGBSBMVLSDMW-UHFFFAOYSA-N
MW250.25 g/mol
LogP-2.22
Rot. Bonds5

About 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3,4,5-tetrahydroxypentanal

5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3,4,5-tetrahydroxypentanal (PubChem CID 58890568) has the molecular formula C10H18O7 and a molecular weight of 250.25 g/mol. Its IUPAC name is 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3,4,5-tetrahydroxypentanal.

Molecular Properties

Compound Name5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3,4,5-tetrahydroxypentanal
PubChem CID58890568
Molecular FormulaC10H18O7
Molecular Weight250.25 g/mol
Exact Mass250.11
IUPAC Name5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3,4,5-tetrahydroxypentanal
SMILESCC1(C)OCC(C(O)C(O)C(O)C(O)C=O)O1
InChIInChI=1S/C10H18O7/c1-10(2)16-4-6(17-10)8(14)9(15)7(13)5(12)3-11/h3,5-9,12-15H,4H2,1-2H3
InChIKeyUJNGBSBMVLSDMW-UHFFFAOYSA-N
XLogP-2.22
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-2.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3,4,5-tetrahydroxypentanal?
The IUPAC name of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3,4,5-tetrahydroxypentanal (CID 58890568) is 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3,4,5-tetrahydroxypentanal.
What is the SMILES notation for 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3,4,5-tetrahydroxypentanal?
The canonical SMILES for 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3,4,5-tetrahydroxypentanal is CC1(C)OCC(C(O)C(O)C(O)C(O)C=O)O1.
What is the InChIKey of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3,4,5-tetrahydroxypentanal?
The InChIKey is UJNGBSBMVLSDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O7/c1-10(2)16-4-6(17-10)8(14)9(15)7(13)5(12)3-11/h3,5-9,12-15H,4H2,1-2H3.
What are the key properties of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3,4,5-tetrahydroxypentanal?
5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3,4,5-tetrahydroxypentanal has a molecular weight of 250.25 g/mol, XLogP of -2.22, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3,4,5-tetrahydroxypentanal is sourced from PubChem (CID 58890568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).