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

C6H14O5 — CID 3429

IUPAChexane-1,2,3,4,5-pentol
SMILESCC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3
InChIKeySKCKOFZKJLZSFA-UHFFFAOYSA-N
MW166.17 g/mol
LogP-2.56
Rot. Bonds4

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

hexane-1,2,3,4,5-pentol (PubChem CID 3429) has the molecular formula C6H14O5 and a molecular weight of 166.17 g/mol. Its IUPAC name is hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Namehexane-1,2,3,4,5-pentol
PubChem CID3429
Molecular FormulaC6H14O5
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Namehexane-1,2,3,4,5-pentol
SMILESCC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3
InChIKeySKCKOFZKJLZSFA-UHFFFAOYSA-N
XLogP-2.56
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 5-2.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of hexane-1,2,3,4,5-pentol?
The IUPAC name of hexane-1,2,3,4,5-pentol (CID 3429) is hexane-1,2,3,4,5-pentol.
What is the SMILES notation for hexane-1,2,3,4,5-pentol?
The canonical SMILES for hexane-1,2,3,4,5-pentol is CC(O)C(O)C(O)C(O)CO.
What is the InChIKey of hexane-1,2,3,4,5-pentol?
The InChIKey is SKCKOFZKJLZSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3.
What are the key properties of hexane-1,2,3,4,5-pentol?
hexane-1,2,3,4,5-pentol has a molecular weight of 166.17 g/mol, XLogP of -2.56, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 3429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).