4-methoxybut-2-yn-1-ol

C5H8O2 — CID 534055

IUPAC4-methoxybut-2-yn-1-ol
SMILESCOCC#CCO
InChIInChI=1S/C5H8O2/c1-7-5-3-2-4-6/h6H,4-5H2,1H3
InChIKeyHRWVUBRSPSCZAZ-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.37
Rot. Bonds1

About 4-methoxybut-2-yn-1-ol

4-methoxybut-2-yn-1-ol (PubChem CID 534055) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 4-methoxybut-2-yn-1-ol.

Molecular Properties

Compound Name4-methoxybut-2-yn-1-ol
PubChem CID534055
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name4-methoxybut-2-yn-1-ol
SMILESCOCC#CCO
InChIInChI=1S/C5H8O2/c1-7-5-3-2-4-6/h6H,4-5H2,1H3
InChIKeyHRWVUBRSPSCZAZ-UHFFFAOYSA-N
XLogP-0.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Butyne-1,4-diol
CID 8066
2-Butyn-1-ol
CID 12991
2-Pentyn-1-ol
CID 80421
Diacetylene glycol
CID 94973
Hex-2-yn-1-ol
CID 69818
1,4-Dimethoxy-2-butyne
CID 542354
2,4-Heptadiyn-1-ol
CID 10975431
Ethanol;methoxyethane
CID 91068027
4-(4-Hydroxybut-2-ynoxy)but-2-yn-1-ol
CID 14790035
4-Ethoxybut-3-yn-1-ol
CID 11571793
Hepta-2,5-diyn-1-ol
CID 14118154
Hepta-2,5-diyne-1,7-diol
CID 15249578

Frequently Asked Questions

What is the IUPAC name of 4-methoxybut-2-yn-1-ol?
The IUPAC name of 4-methoxybut-2-yn-1-ol (CID 534055) is 4-methoxybut-2-yn-1-ol.
What is the SMILES notation for 4-methoxybut-2-yn-1-ol?
The canonical SMILES for 4-methoxybut-2-yn-1-ol is COCC#CCO.
What is the InChIKey of 4-methoxybut-2-yn-1-ol?
The InChIKey is HRWVUBRSPSCZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-7-5-3-2-4-6/h6H,4-5H2,1H3.
What are the key properties of 4-methoxybut-2-yn-1-ol?
4-methoxybut-2-yn-1-ol has a molecular weight of 100.12 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybut-2-yn-1-ol is sourced from PubChem (CID 534055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).