hex-4-yne-1,2,6-triol

C6H10O3 — CID 85377335

IUPAChex-4-yne-1,2,6-triol
SMILESOCC#CCC(O)CO
InChIInChI=1S/C6H10O3/c7-4-2-1-3-6(9)5-8/h6-9H,3-5H2
InChIKeyOKMPYZHMTKIVJD-UHFFFAOYSA-N
MW130.14 g/mol
LogP-1.27
Rot. Bonds2

About hex-4-yne-1,2,6-triol

hex-4-yne-1,2,6-triol (PubChem CID 85377335) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is hex-4-yne-1,2,6-triol.

Molecular Properties

Compound Namehex-4-yne-1,2,6-triol
PubChem CID85377335
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Namehex-4-yne-1,2,6-triol
SMILESOCC#CCC(O)CO
InChIInChI=1S/C6H10O3/c7-4-2-1-3-6(9)5-8/h6-9H,3-5H2
InChIKeyOKMPYZHMTKIVJD-UHFFFAOYSA-N
XLogP-1.27
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromopent-4-yne-1,2-diol
CID 118161286
undec-2-yne-1,5-diol
CID 14791778
CID 135334439
CID 135334439
6-phenylmethoxyhex-4-yne-1,2-diol
CID 56646910
propane-1,2,3-triol;tetrahydrochloride
CID 163704230
CID 160843248
CID 160843248
gold;propane-1,2,3-triol
CID 87239797
(propane-1,2,3-triol);pentahydrochloride
CID 173419242
2,3-dihydroxypropyl hypochlorite
CID 54142459
propane-1,2,3-triol;trichlororuthenium
CID 175099214
6-phenylsulfanylhex-4-yne-1,2-diol
CID 70098018
CID 88654281
CID 88654281

Frequently Asked Questions

What is the IUPAC name of hex-4-yne-1,2,6-triol?
The IUPAC name of hex-4-yne-1,2,6-triol (CID 85377335) is hex-4-yne-1,2,6-triol.
What is the SMILES notation for hex-4-yne-1,2,6-triol?
The canonical SMILES for hex-4-yne-1,2,6-triol is OCC#CCC(O)CO.
What is the InChIKey of hex-4-yne-1,2,6-triol?
The InChIKey is OKMPYZHMTKIVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c7-4-2-1-3-6(9)5-8/h6-9H,3-5H2.
What are the key properties of hex-4-yne-1,2,6-triol?
hex-4-yne-1,2,6-triol has a molecular weight of 130.14 g/mol, XLogP of -1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hex-4-yne-1,2,6-triol is sourced from PubChem (CID 85377335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).