hexane-1,1,4,6-tetrol

C6H14O4 — CID 56633159

IUPAChexane-1,1,4,6-tetrol
SMILESOCCC(O)CCC(O)O
InChIInChI=1S/C6H14O4/c7-4-3-5(8)1-2-6(9)10/h5-10H,1-4H2
InChIKeyDMGGLLDDDFHRAR-UHFFFAOYSA-N
MW150.17 g/mol
LogP-1.18
Rot. Bonds5

About hexane-1,1,4,6-tetrol

hexane-1,1,4,6-tetrol (PubChem CID 56633159) has the molecular formula C6H14O4 and a molecular weight of 150.17 g/mol. Its IUPAC name is hexane-1,1,4,6-tetrol.

Molecular Properties

Compound Namehexane-1,1,4,6-tetrol
PubChem CID56633159
Molecular FormulaC6H14O4
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Namehexane-1,1,4,6-tetrol
SMILESOCCC(O)CCC(O)O
InChIInChI=1S/C6H14O4/c7-4-3-5(8)1-2-6(9)10/h5-10H,1-4H2
InChIKeyDMGGLLDDDFHRAR-UHFFFAOYSA-N
XLogP-1.18
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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octadecane-1,3,18-triol
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tetrakis(hexane-1,3-diol);titanium
CID 173060887
hexasodium;pentane-1,3,5-triol;trisulfate
CID 173024311
(3R)-4-chlorobutane-1,3-diol
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CID 173344063
CID 173344063
5-[3,5-dihydroxypentyl(methyl)amino]pentane-1,3-diol
CID 171541613
propane-1,1,3-triol;urea
CID 174547822
3,5-dihydroxypentane-1-sulfonic acid
CID 122552680
(3S,25S)-hexacosane-1,3,25-triol
CID 163073285

Frequently Asked Questions

What is the IUPAC name of hexane-1,1,4,6-tetrol?
The IUPAC name of hexane-1,1,4,6-tetrol (CID 56633159) is hexane-1,1,4,6-tetrol.
What is the SMILES notation for hexane-1,1,4,6-tetrol?
The canonical SMILES for hexane-1,1,4,6-tetrol is OCCC(O)CCC(O)O.
What is the InChIKey of hexane-1,1,4,6-tetrol?
The InChIKey is DMGGLLDDDFHRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4/c7-4-3-5(8)1-2-6(9)10/h5-10H,1-4H2.
What are the key properties of hexane-1,1,4,6-tetrol?
hexane-1,1,4,6-tetrol has a molecular weight of 150.17 g/mol, XLogP of -1.18, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,1,4,6-tetrol is sourced from PubChem (CID 56633159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).