lithium;hydride;pent-4-yn-1-ol

C5H9LiO — CID 173248193

IUPAClithium;hydride;pent-4-yn-1-ol
SMILESC#CCCCO.[H-].[Li+]
InChIInChI=1S/C5H8O.Li.H/c1-2-3-4-5-6;;/h1,6H,3-5H2;;/q;+1;-1
InChIKeyVXKUJXKJFJRORZ-UHFFFAOYSA-N
MW92.07 g/mol
LogP-2.49
Rot. Bonds2

About lithium;hydride;pent-4-yn-1-ol

lithium;hydride;pent-4-yn-1-ol (PubChem CID 173248193) has the molecular formula C5H9LiO and a molecular weight of 92.07 g/mol. Its IUPAC name is lithium;hydride;pent-4-yn-1-ol.

Molecular Properties

Compound Namelithium;hydride;pent-4-yn-1-ol
PubChem CID173248193
Molecular FormulaC5H9LiO
Molecular Weight92.07 g/mol
Exact Mass92.08
IUPAC Namelithium;hydride;pent-4-yn-1-ol
SMILESC#CCCCO.[H-].[Li+]
InChIInChI=1S/C5H8O.Li.H/c1-2-3-4-5-6;;/h1,6H,3-5H2;;/q;+1;-1
InChIKeyVXKUJXKJFJRORZ-UHFFFAOYSA-N
XLogP-2.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.07
LogP ≤ 5-2.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hexadec-15-yn-1-ol
CID 10922615
butane-1,4-diol;hexa-1,5-diyne
CID 138705678
undeca-5,10-diyn-1-ol
CID 3442451
4-(hex-5-ynylamino)butan-1-ol
CID 106211716
acetic acid;hept-6-yn-1-ol
CID 71329694
trideca-1,12-diyne
CID 13119526
heptatriaconta-1,36-diyne
CID 58527209
6-ethoxyhex-1-yne;hex-5-yn-1-ol
CID 158489724
3-pent-4-ynylsulfanylbutan-1-ol
CID 115871072
lithium hex-1-yne
CID 22255951
2-[methyl(pent-4-ynyl)amino]ethanol
CID 115872742
3-(pent-4-ynylamino)butan-1-ol
CID 115977666

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;pent-4-yn-1-ol?
The IUPAC name of lithium;hydride;pent-4-yn-1-ol (CID 173248193) is lithium;hydride;pent-4-yn-1-ol.
What is the SMILES notation for lithium;hydride;pent-4-yn-1-ol?
The canonical SMILES for lithium;hydride;pent-4-yn-1-ol is C#CCCCO.[H-].[Li+].
What is the InChIKey of lithium;hydride;pent-4-yn-1-ol?
The InChIKey is VXKUJXKJFJRORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O.Li.H/c1-2-3-4-5-6;;/h1,6H,3-5H2;;/q;+1;-1.
What are the key properties of lithium;hydride;pent-4-yn-1-ol?
lithium;hydride;pent-4-yn-1-ol has a molecular weight of 92.07 g/mol, XLogP of -2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;pent-4-yn-1-ol is sourced from PubChem (CID 173248193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).