5-(5,5,5-trihydroxypentoxy)pentane-1,1,1-triol

C10H22O7 — CID 87378318

IUPAC5-(5,5,5-trihydroxypentoxy)pentane-1,1,1-triol
SMILESOC(O)(O)CCCCOCCCCC(O)(O)O
InChIInChI=1S/C10H22O7/c11-9(12,13)5-1-3-7-17-8-4-2-6-10(14,15)16/h11-16H,1-8H2
InChIKeyPAUTULAWMQOHBV-UHFFFAOYSA-N
MW254.28 g/mol
LogP-1.39
Rot. Bonds10

About 5-(5,5,5-trihydroxypentoxy)pentane-1,1,1-triol

5-(5,5,5-trihydroxypentoxy)pentane-1,1,1-triol (PubChem CID 87378318) has the molecular formula C10H22O7 and a molecular weight of 254.28 g/mol. Its IUPAC name is 5-(5,5,5-trihydroxypentoxy)pentane-1,1,1-triol.

Molecular Properties

Compound Name5-(5,5,5-trihydroxypentoxy)pentane-1,1,1-triol
PubChem CID87378318
Molecular FormulaC10H22O7
Molecular Weight254.28 g/mol
Exact Mass254.14
IUPAC Name5-(5,5,5-trihydroxypentoxy)pentane-1,1,1-triol
SMILESOC(O)(O)CCCCOCCCCC(O)(O)O
InChIInChI=1S/C10H22O7/c11-9(12,13)5-1-3-7-17-8-4-2-6-10(14,15)16/h11-16H,1-8H2
InChIKeyPAUTULAWMQOHBV-UHFFFAOYSA-N
XLogP-1.39
TPSA130.61 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.28
LogP ≤ 5-1.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[8-[10-hydroxy-9,9-bis(hydroxymethyl)decoxy]octyl]-2-(hydroxymethyl)propane-1,3-diol
CID 88594791
6-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylhexan-1-ol
CID 11470973
7-(6-hydroxy-5,5-dimethylhexoxy)-2,2-dimethylheptan-1-ol
CID 11426254
3-(17,17,17-trifluoroheptadecoxy)propan-1-ol
CID 162744639
6-(6-chloro-5,5-dimethyl-6-oxohexoxy)-2,2-dimethylhexanoyl chloride
CID 87462596
6-(5-carboxylato-5-methylhexoxy)-2,2-dimethylhexanoate
CID 140886143
1-amino-6-(2-ethoxyethoxy)-2-methylhexan-2-ol
CID 64814822
triacontane-1,1,1-triol
CID 87376487
dodecane-1,1,1-triol
CID 22412604
1-butoxy-5,5-dimethylhexane
CID 134574772
1,6-bis(2-butoxyethoxy)-3,4-bis[2-(2-butoxyethoxy)ethyl]hexane-3,4-diol
CID 157473133
7-(6-hydroxy-5,5-dimethylhexoxy)-3,3-dimethylheptan-1-ol
CID 59111002

Frequently Asked Questions

What is the IUPAC name of 5-(5,5,5-trihydroxypentoxy)pentane-1,1,1-triol?
The IUPAC name of 5-(5,5,5-trihydroxypentoxy)pentane-1,1,1-triol (CID 87378318) is 5-(5,5,5-trihydroxypentoxy)pentane-1,1,1-triol.
What is the SMILES notation for 5-(5,5,5-trihydroxypentoxy)pentane-1,1,1-triol?
The canonical SMILES for 5-(5,5,5-trihydroxypentoxy)pentane-1,1,1-triol is OC(O)(O)CCCCOCCCCC(O)(O)O.
What is the InChIKey of 5-(5,5,5-trihydroxypentoxy)pentane-1,1,1-triol?
The InChIKey is PAUTULAWMQOHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O7/c11-9(12,13)5-1-3-7-17-8-4-2-6-10(14,15)16/h11-16H,1-8H2.
What are the key properties of 5-(5,5,5-trihydroxypentoxy)pentane-1,1,1-triol?
5-(5,5,5-trihydroxypentoxy)pentane-1,1,1-triol has a molecular weight of 254.28 g/mol, XLogP of -1.39, 10 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,5,5-trihydroxypentoxy)pentane-1,1,1-triol is sourced from PubChem (CID 87378318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).