5-(4-hydroxybut-2-ynoxy)pent-2-yn-1-ol

C9H12O3 — CID 11073811

IUPAC5-(4-hydroxybut-2-ynoxy)pent-2-yn-1-ol
SMILESOCC#CCCOCC#CCO
InChIInChI=1S/C9H12O3/c10-6-2-1-4-8-12-9-5-3-7-11/h10-11H,4,6-9H2
InChIKeyJYMBFKVHQMJXRF-UHFFFAOYSA-N
MW168.19 g/mol
LogP-0.62
Rot. Bonds3

About 5-(4-hydroxybut-2-ynoxy)pent-2-yn-1-ol

5-(4-hydroxybut-2-ynoxy)pent-2-yn-1-ol (PubChem CID 11073811) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 5-(4-hydroxybut-2-ynoxy)pent-2-yn-1-ol.

Molecular Properties

Compound Name5-(4-hydroxybut-2-ynoxy)pent-2-yn-1-ol
PubChem CID11073811
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name5-(4-hydroxybut-2-ynoxy)pent-2-yn-1-ol
SMILESOCC#CCCOCC#CCO
InChIInChI=1S/C9H12O3/c10-6-2-1-4-8-12-9-5-3-7-11/h10-11H,4,6-9H2
InChIKeyJYMBFKVHQMJXRF-UHFFFAOYSA-N
XLogP-0.62
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-butoxypent-2-yn-1-ol
CID 89211895
2-[2-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-2-ynoxy]ethoxy]ethoxy]ethanol
CID 12527705
4-[(2S)-2-hydroxypropoxy]but-2-yn-1-ol
CID 51418891
1-(2-ethoxyethoxy)oct-2-yne
CID 169324331
non-2-yne-1,9-diol
CID 10997284
6-[(2E)-penta-2,4-dienoxy]hex-4-yn-1-ol
CID 10375034
hexa-2,4-diyne-1,6-diol;methane
CID 159269770
2-[2-(3-iodoprop-2-ynoxy)ethoxy]ethanol
CID 71359998
nona-2,5-diyne-1,9-diol
CID 175119403
4-(3-hydroxypropoxy)but-2-yne-1-sulfonic acid
CID 88825749
4-(3-chloroprop-2-ynoxy)butan-1-ol
CID 23282419
5-acetyloxypent-3-ynyl acetate
CID 58361952

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxybut-2-ynoxy)pent-2-yn-1-ol?
The IUPAC name of 5-(4-hydroxybut-2-ynoxy)pent-2-yn-1-ol (CID 11073811) is 5-(4-hydroxybut-2-ynoxy)pent-2-yn-1-ol.
What is the SMILES notation for 5-(4-hydroxybut-2-ynoxy)pent-2-yn-1-ol?
The canonical SMILES for 5-(4-hydroxybut-2-ynoxy)pent-2-yn-1-ol is OCC#CCCOCC#CCO.
What is the InChIKey of 5-(4-hydroxybut-2-ynoxy)pent-2-yn-1-ol?
The InChIKey is JYMBFKVHQMJXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c10-6-2-1-4-8-12-9-5-3-7-11/h10-11H,4,6-9H2.
What are the key properties of 5-(4-hydroxybut-2-ynoxy)pent-2-yn-1-ol?
5-(4-hydroxybut-2-ynoxy)pent-2-yn-1-ol has a molecular weight of 168.19 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxybut-2-ynoxy)pent-2-yn-1-ol is sourced from PubChem (CID 11073811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).