3-(cyclobuten-1-yl)-2,3,4,5,6-pentahydroxyhexanal

C10H16O6 — CID 175327133

IUPAC3-(cyclobuten-1-yl)-2,3,4,5,6-pentahydroxyhexanal
SMILESO=CC(O)C(O)(C1=CCC1)C(O)C(O)CO
InChIInChI=1S/C10H16O6/c11-4-7(13)9(15)10(16,8(14)5-12)6-2-1-3-6/h2,5,7-9,11,13-16H,1,3-4H2
InChIKeyUTOOEOKUJIVHQL-UHFFFAOYSA-N
MW232.23 g/mol
LogP-2.29
Rot. Bonds6

About 3-(cyclobuten-1-yl)-2,3,4,5,6-pentahydroxyhexanal

3-(cyclobuten-1-yl)-2,3,4,5,6-pentahydroxyhexanal (PubChem CID 175327133) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is 3-(cyclobuten-1-yl)-2,3,4,5,6-pentahydroxyhexanal.

Molecular Properties

Compound Name3-(cyclobuten-1-yl)-2,3,4,5,6-pentahydroxyhexanal
PubChem CID175327133
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name3-(cyclobuten-1-yl)-2,3,4,5,6-pentahydroxyhexanal
SMILESO=CC(O)C(O)(C1=CCC1)C(O)C(O)CO
InChIInChI=1S/C10H16O6/c11-4-7(13)9(15)10(16,8(14)5-12)6-2-1-3-6/h2,5,7-9,11,13-16H,1,3-4H2
InChIKeyUTOOEOKUJIVHQL-UHFFFAOYSA-N
XLogP-2.29
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-2.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclobuten-1-yl)-2,3,4,5,6-pentahydroxyhexanal?
The IUPAC name of 3-(cyclobuten-1-yl)-2,3,4,5,6-pentahydroxyhexanal (CID 175327133) is 3-(cyclobuten-1-yl)-2,3,4,5,6-pentahydroxyhexanal.
What is the SMILES notation for 3-(cyclobuten-1-yl)-2,3,4,5,6-pentahydroxyhexanal?
The canonical SMILES for 3-(cyclobuten-1-yl)-2,3,4,5,6-pentahydroxyhexanal is O=CC(O)C(O)(C1=CCC1)C(O)C(O)CO.
What is the InChIKey of 3-(cyclobuten-1-yl)-2,3,4,5,6-pentahydroxyhexanal?
The InChIKey is UTOOEOKUJIVHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6/c11-4-7(13)9(15)10(16,8(14)5-12)6-2-1-3-6/h2,5,7-9,11,13-16H,1,3-4H2.
What are the key properties of 3-(cyclobuten-1-yl)-2,3,4,5,6-pentahydroxyhexanal?
3-(cyclobuten-1-yl)-2,3,4,5,6-pentahydroxyhexanal has a molecular weight of 232.23 g/mol, XLogP of -2.29, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobuten-1-yl)-2,3,4,5,6-pentahydroxyhexanal is sourced from PubChem (CID 175327133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).