hex-3-yn-2-ol

C6H10O — CID 7990

IUPAChex-3-yn-2-ol
SMILESCCC#CC(C)O
InChIInChI=1S/C6H10O/c1-3-4-5-6(2)7/h6-7H,3H2,1-2H3
InChIKeyIFCAMPHNVKBSTF-UHFFFAOYSA-N
MW98.14 g/mol
LogP0.78
Rot. Bonds

About hex-3-yn-2-ol

hex-3-yn-2-ol (PubChem CID 7990) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is hex-3-yn-2-ol.

Molecular Properties

Compound Namehex-3-yn-2-ol
PubChem CID7990
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Namehex-3-yn-2-ol
SMILESCCC#CC(C)O
InChIInChI=1S/C6H10O/c1-3-4-5-6(2)7/h6-7H,3H2,1-2H3
InChIKeyIFCAMPHNVKBSTF-UHFFFAOYSA-N
XLogP0.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Hexyne-2,5-diol
CID 18198
3-Butyn-2-ol
CID 16239
2-Pentyn-1-ol
CID 80421
1-Pentyn-3-ol
CID 92981
4-Pentyn-2-ol
CID 92915
5-Hexyn-3-ol
CID 89223
3-Hexyn-1-ol
CID 66083
3-Pentyn-1-ol
CID 66295
Hex-2-yn-1-ol
CID 69818
Hept-4-yn-2-ol
CID 89225
2-Heptyn-1-ol
CID 535111
(2R)-but-3-yn-2-ol
CID 638102

Frequently Asked Questions

What is the IUPAC name of hex-3-yn-2-ol?
The IUPAC name of hex-3-yn-2-ol (CID 7990) is hex-3-yn-2-ol.
What is the SMILES notation for hex-3-yn-2-ol?
The canonical SMILES for hex-3-yn-2-ol is CCC#CC(C)O.
What is the InChIKey of hex-3-yn-2-ol?
The InChIKey is IFCAMPHNVKBSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-3-4-5-6(2)7/h6-7H,3H2,1-2H3.
What are the key properties of hex-3-yn-2-ol?
hex-3-yn-2-ol has a molecular weight of 98.14 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hex-3-yn-2-ol is sourced from PubChem (CID 7990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).