5-(3,4-dihydroxypentoxy)pentane-2,3-diol

C10H22O5 — CID 90771075

IUPAC5-(3,4-dihydroxypentoxy)pentane-2,3-diol
SMILESCC(O)C(O)CCOCCC(O)C(C)O
InChIInChI=1S/C10H22O5/c1-7(11)9(13)3-5-15-6-4-10(14)8(2)12/h7-14H,3-6H2,1-2H3
InChIKeyACYLHDPFOFCGOZ-UHFFFAOYSA-N
MW222.28 g/mol
LogP-0.73
Rot. Bonds8

About 5-(3,4-dihydroxypentoxy)pentane-2,3-diol

5-(3,4-dihydroxypentoxy)pentane-2,3-diol (PubChem CID 90771075) has the molecular formula C10H22O5 and a molecular weight of 222.28 g/mol. Its IUPAC name is 5-(3,4-dihydroxypentoxy)pentane-2,3-diol.

Molecular Properties

Compound Name5-(3,4-dihydroxypentoxy)pentane-2,3-diol
PubChem CID90771075
Molecular FormulaC10H22O5
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name5-(3,4-dihydroxypentoxy)pentane-2,3-diol
SMILESCC(O)C(O)CCOCCC(O)C(C)O
InChIInChI=1S/C10H22O5/c1-7(11)9(13)3-5-15-6-4-10(14)8(2)12/h7-14H,3-6H2,1-2H3
InChIKeyACYLHDPFOFCGOZ-UHFFFAOYSA-N
XLogP-0.73
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydroxypentoxy)pentane-2,3-diol?
The IUPAC name of 5-(3,4-dihydroxypentoxy)pentane-2,3-diol (CID 90771075) is 5-(3,4-dihydroxypentoxy)pentane-2,3-diol.
What is the SMILES notation for 5-(3,4-dihydroxypentoxy)pentane-2,3-diol?
The canonical SMILES for 5-(3,4-dihydroxypentoxy)pentane-2,3-diol is CC(O)C(O)CCOCCC(O)C(C)O.
What is the InChIKey of 5-(3,4-dihydroxypentoxy)pentane-2,3-diol?
The InChIKey is ACYLHDPFOFCGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O5/c1-7(11)9(13)3-5-15-6-4-10(14)8(2)12/h7-14H,3-6H2,1-2H3.
What are the key properties of 5-(3,4-dihydroxypentoxy)pentane-2,3-diol?
5-(3,4-dihydroxypentoxy)pentane-2,3-diol has a molecular weight of 222.28 g/mol, XLogP of -0.73, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydroxypentoxy)pentane-2,3-diol is sourced from PubChem (CID 90771075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).