hexane-1,2,3,6-tetrol

C6H14O4 — CID 5209802

IUPAChexane-1,2,3,6-tetrol
SMILESOCCCC(O)C(O)CO
InChIInChI=1S/C6H14O4/c7-3-1-2-5(9)6(10)4-8/h5-10H,1-4H2
InChIKeyRLMXGBGAZRVYIX-UHFFFAOYSA-N
MW150.17 g/mol
LogP-1.53
Rot. Bonds5

About hexane-1,2,3,6-tetrol

hexane-1,2,3,6-tetrol (PubChem CID 5209802) has the molecular formula C6H14O4 and a molecular weight of 150.17 g/mol. Its IUPAC name is hexane-1,2,3,6-tetrol.

Molecular Properties

Compound Namehexane-1,2,3,6-tetrol
PubChem CID5209802
Molecular FormulaC6H14O4
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Namehexane-1,2,3,6-tetrol
SMILESOCCCC(O)C(O)CO
InChIInChI=1S/C6H14O4/c7-3-1-2-5(9)6(10)4-8/h5-10H,1-4H2
InChIKeyRLMXGBGAZRVYIX-UHFFFAOYSA-N
XLogP-1.53
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 ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

nonane-1,2,3,9-tetrol
CID 87488161
tridecane-1,4,5,13-tetrol
CID 57164237
5,5-bis(sulfanyl)pentane-1,4-diol
CID 89422392
(2S,3S)-decane-1,2,3-triol
CID 12619492
(2R,3R)-undecane-1,2,3-triol
CID 15641124
bis(butane-1,4-diol);hexane-1,2,3,4,5,6-hexol
CID 134284042
heptane-1,2,3-triol;propane-1,2,3-triol
CID 141381425
5-(3-hydroxypropyl)heptane-1,1,6,7-tetrol
CID 91301231
5-(1,2-dihydroxyethyl)nonane-1,4,6,8-tetrol
CID 90765548
7-nitrosoheptane-1,2,3-triol
CID 154362749
nonane-1,5,6-triol
CID 174941867
(4R,5R)-pentadec-14-ene-1,4,5-triol
CID 11747294

Frequently Asked Questions

What is the IUPAC name of hexane-1,2,3,6-tetrol?
The IUPAC name of hexane-1,2,3,6-tetrol (CID 5209802) is hexane-1,2,3,6-tetrol.
What is the SMILES notation for hexane-1,2,3,6-tetrol?
The canonical SMILES for hexane-1,2,3,6-tetrol is OCCCC(O)C(O)CO.
What is the InChIKey of hexane-1,2,3,6-tetrol?
The InChIKey is RLMXGBGAZRVYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4/c7-3-1-2-5(9)6(10)4-8/h5-10H,1-4H2.
What are the key properties of hexane-1,2,3,6-tetrol?
hexane-1,2,3,6-tetrol has a molecular weight of 150.17 g/mol, XLogP of -1.53, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,2,3,6-tetrol is sourced from PubChem (CID 5209802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).