pentane-1,2,3,4,5-pentol

C5H12O5 — CID 827

IUPACpentane-1,2,3,4,5-pentol
SMILESOCC(O)C(O)C(O)CO
InChIInChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2
InChIKeyHEBKCHPVOIAQTA-UHFFFAOYSA-N
MW152.15 g/mol
LogP-2.95
Rot. Bonds4

About pentane-1,2,3,4,5-pentol

pentane-1,2,3,4,5-pentol (PubChem CID 827) has the molecular formula C5H12O5 and a molecular weight of 152.15 g/mol. Its IUPAC name is pentane-1,2,3,4,5-pentol.

Molecular Properties

Compound Namepentane-1,2,3,4,5-pentol
PubChem CID827
Molecular FormulaC5H12O5
Molecular Weight152.15 g/mol
Exact Mass152.07
IUPAC Namepentane-1,2,3,4,5-pentol
SMILESOCC(O)C(O)C(O)CO
InChIInChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2
InChIKeyHEBKCHPVOIAQTA-UHFFFAOYSA-N
XLogP-2.95
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-2.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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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-1,2,3,4,5-pentol?
The IUPAC name of pentane-1,2,3,4,5-pentol (CID 827) is pentane-1,2,3,4,5-pentol.
What is the SMILES notation for pentane-1,2,3,4,5-pentol?
The canonical SMILES for pentane-1,2,3,4,5-pentol is OCC(O)C(O)C(O)CO.
What is the InChIKey of pentane-1,2,3,4,5-pentol?
The InChIKey is HEBKCHPVOIAQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2.
What are the key properties of pentane-1,2,3,4,5-pentol?
pentane-1,2,3,4,5-pentol has a molecular weight of 152.15 g/mol, XLogP of -2.95, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentane-1,2,3,4,5-pentol is sourced from PubChem (CID 827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).