3-pentylpentane-1,2,3,5-tetrol

C10H22O4 — CID 87502264

IUPAC3-pentylpentane-1,2,3,5-tetrol
SMILESCCCCCC(O)(CCO)C(O)CO
InChIInChI=1S/C10H22O4/c1-2-3-4-5-10(14,6-7-11)9(13)8-12/h9,11-14H,2-8H2,1H3
InChIKeyAZACAVGQGBDXED-UHFFFAOYSA-N
MW206.28 g/mol
LogP0.03
Rot. Bonds8

About 3-pentylpentane-1,2,3,5-tetrol

3-pentylpentane-1,2,3,5-tetrol (PubChem CID 87502264) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3-pentylpentane-1,2,3,5-tetrol.

Molecular Properties

Compound Name3-pentylpentane-1,2,3,5-tetrol
PubChem CID87502264
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name3-pentylpentane-1,2,3,5-tetrol
SMILESCCCCCC(O)(CCO)C(O)CO
InChIInChI=1S/C10H22O4/c1-2-3-4-5-10(14,6-7-11)9(13)8-12/h9,11-14H,2-8H2,1H3
InChIKeyAZACAVGQGBDXED-UHFFFAOYSA-N
XLogP0.03
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 3-pentylpentane-1,2,3,5-tetrol?
The IUPAC name of 3-pentylpentane-1,2,3,5-tetrol (CID 87502264) is 3-pentylpentane-1,2,3,5-tetrol.
What is the SMILES notation for 3-pentylpentane-1,2,3,5-tetrol?
The canonical SMILES for 3-pentylpentane-1,2,3,5-tetrol is CCCCCC(O)(CCO)C(O)CO.
What is the InChIKey of 3-pentylpentane-1,2,3,5-tetrol?
The InChIKey is AZACAVGQGBDXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4/c1-2-3-4-5-10(14,6-7-11)9(13)8-12/h9,11-14H,2-8H2,1H3.
What are the key properties of 3-pentylpentane-1,2,3,5-tetrol?
3-pentylpentane-1,2,3,5-tetrol has a molecular weight of 206.28 g/mol, XLogP of 0.03, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentylpentane-1,2,3,5-tetrol is sourced from PubChem (CID 87502264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).