2,2,3,3,4-pentahydroxydecanal

C10H20O6 — CID 141166384

IUPAC2,2,3,3,4-pentahydroxydecanal
SMILESCCCCCCC(O)C(O)(O)C(O)(O)C=O
InChIInChI=1S/C10H20O6/c1-2-3-4-5-6-8(12)10(15,16)9(13,14)7-11/h7-8,12-16H,2-6H2,1H3
InChIKeyJBPSGUHJIQJTRJ-UHFFFAOYSA-N
MW236.26 g/mol
LogP-1.12
Rot. Bonds8

About 2,2,3,3,4-pentahydroxydecanal

2,2,3,3,4-pentahydroxydecanal (PubChem CID 141166384) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is 2,2,3,3,4-pentahydroxydecanal.

Molecular Properties

Compound Name2,2,3,3,4-pentahydroxydecanal
PubChem CID141166384
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name2,2,3,3,4-pentahydroxydecanal
SMILESCCCCCCC(O)C(O)(O)C(O)(O)C=O
InChIInChI=1S/C10H20O6/c1-2-3-4-5-6-8(12)10(15,16)9(13,14)7-11/h7-8,12-16H,2-6H2,1H3
InChIKeyJBPSGUHJIQJTRJ-UHFFFAOYSA-N
XLogP-1.12
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-1.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4-pentahydroxydecanal?
The IUPAC name of 2,2,3,3,4-pentahydroxydecanal (CID 141166384) is 2,2,3,3,4-pentahydroxydecanal.
What is the SMILES notation for 2,2,3,3,4-pentahydroxydecanal?
The canonical SMILES for 2,2,3,3,4-pentahydroxydecanal is CCCCCCC(O)C(O)(O)C(O)(O)C=O.
What is the InChIKey of 2,2,3,3,4-pentahydroxydecanal?
The InChIKey is JBPSGUHJIQJTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O6/c1-2-3-4-5-6-8(12)10(15,16)9(13,14)7-11/h7-8,12-16H,2-6H2,1H3.
What are the key properties of 2,2,3,3,4-pentahydroxydecanal?
2,2,3,3,4-pentahydroxydecanal has a molecular weight of 236.26 g/mol, XLogP of -1.12, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4-pentahydroxydecanal is sourced from PubChem (CID 141166384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).