pentane-1,2,4,5-tetrol

C5H12O4 — CID 14865845

IUPACpentane-1,2,4,5-tetrol
SMILESOCC(O)CC(O)CO
InChIInChI=1S/C5H12O4/c6-2-4(8)1-5(9)3-7/h4-9H,1-3H2
InChIKeyVHDMXHLHMMROPO-UHFFFAOYSA-N
MW136.15 g/mol
LogP-1.92
Rot. Bonds4

About pentane-1,2,4,5-tetrol

pentane-1,2,4,5-tetrol (PubChem CID 14865845) has the molecular formula C5H12O4 and a molecular weight of 136.15 g/mol. Its IUPAC name is pentane-1,2,4,5-tetrol.

Molecular Properties

Compound Namepentane-1,2,4,5-tetrol
PubChem CID14865845
Molecular FormulaC5H12O4
Molecular Weight136.15 g/mol
Exact Mass136.07
IUPAC Namepentane-1,2,4,5-tetrol
SMILESOCC(O)CC(O)CO
InChIInChI=1S/C5H12O4/c6-2-4(8)1-5(9)3-7/h4-9H,1-3H2
InChIKeyVHDMXHLHMMROPO-UHFFFAOYSA-N
XLogP-1.92
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 5-1.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Sorbitol
CID 5780
Mannitol
CID 6251
Erythritol
CID 222285
Galactitol
CID 11850
D-Arabitol
CID 94154
(2S,4R)-Pentane-1,2,3,4,5-Pentol
CID 6912
D-Threitol
CID 169019
L-Arabitol
CID 439255
Hexitol
CID 453
1,2,4-Butanetriol
CID 18302
L-Sorbitol
CID 82170
L-Iditol
CID 5460044

Frequently Asked Questions

What is the IUPAC name of pentane-1,2,4,5-tetrol?
The IUPAC name of pentane-1,2,4,5-tetrol (CID 14865845) is pentane-1,2,4,5-tetrol.
What is the SMILES notation for pentane-1,2,4,5-tetrol?
The canonical SMILES for pentane-1,2,4,5-tetrol is OCC(O)CC(O)CO.
What is the InChIKey of pentane-1,2,4,5-tetrol?
The InChIKey is VHDMXHLHMMROPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O4/c6-2-4(8)1-5(9)3-7/h4-9H,1-3H2.
What are the key properties of pentane-1,2,4,5-tetrol?
pentane-1,2,4,5-tetrol has a molecular weight of 136.15 g/mol, XLogP of -1.92, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentane-1,2,4,5-tetrol is sourced from PubChem (CID 14865845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).