5-hydroxypent-2-ynal

C5H6O2 — CID 117265442

IUPAC5-hydroxypent-2-ynal
SMILESO=CC#CCCO
InChIInChI=1S/C5H6O2/c6-4-2-1-3-5-7/h5-6H,2,4H2
InChIKeyCUAIDPJPWFKBMW-UHFFFAOYSA-N
MW98.10 g/mol
LogP-0.43
Rot. Bonds1

About 5-hydroxypent-2-ynal

5-hydroxypent-2-ynal (PubChem CID 117265442) has the molecular formula C5H6O2 and a molecular weight of 98.10 g/mol. Its IUPAC name is 5-hydroxypent-2-ynal.

Molecular Properties

Compound Name5-hydroxypent-2-ynal
PubChem CID117265442
Molecular FormulaC5H6O2
Molecular Weight98.10 g/mol
Exact Mass98.04
IUPAC Name5-hydroxypent-2-ynal
SMILESO=CC#CCCO
InChIInChI=1S/C5H6O2/c6-4-2-1-3-5-7/h5-6H,2,4H2
InChIKeyCUAIDPJPWFKBMW-UHFFFAOYSA-N
XLogP-0.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-hydroxydeca-2,8-diynal
CID 11435128
11-hydroxyundeca-2,9-diynal
CID 11789780
9-hydroxydeca-2,7-diynal
CID 10975820
6-methoxyhex-2-ynal
CID 117265441
(Z,9R)-dec-5-en-3,7-diyne-1,9-diol;(Z,9S)-dec-5-en-3,7-diyne-1,9-diol
CID 171369123
6-nitrosohex-3-yn-1-ol
CID 154559402
2,7-dihydroxyhept-4-ynylsulfonyloxy formate
CID 142708140
7-methyloct-6-en-3-yn-1-ol
CID 130128735
methanesulfonic acid;pent-3-yn-1-ol
CID 71334054
(E)-oct-2-en-4-yne-1,8-diol
CID 130123258
7-(furan-2-yl)hept-2-ynal
CID 102105207
9-hydroxynona-3,6-diynenitrile
CID 134276356

Frequently Asked Questions

What is the IUPAC name of 5-hydroxypent-2-ynal?
The IUPAC name of 5-hydroxypent-2-ynal (CID 117265442) is 5-hydroxypent-2-ynal.
What is the SMILES notation for 5-hydroxypent-2-ynal?
The canonical SMILES for 5-hydroxypent-2-ynal is O=CC#CCCO.
What is the InChIKey of 5-hydroxypent-2-ynal?
The InChIKey is CUAIDPJPWFKBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h5-6H,2,4H2.
What are the key properties of 5-hydroxypent-2-ynal?
5-hydroxypent-2-ynal has a molecular weight of 98.10 g/mol, XLogP of -0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypent-2-ynal is sourced from PubChem (CID 117265442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).