8,9-dihydroxynon-2-enal

C9H16O3 — CID 121360685

IUPAC8,9-dihydroxynon-2-enal
SMILESO=CC=CCCCCC(O)CO
InChIInChI=1S/C9H16O3/c10-7-5-3-1-2-4-6-9(12)8-11/h3,5,7,9,11-12H,1-2,4,6,8H2
InChIKeyHTUFNWKDEJLCPM-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.66
Rot. Bonds7

About 8,9-dihydroxynon-2-enal

8,9-dihydroxynon-2-enal (PubChem CID 121360685) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 8,9-dihydroxynon-2-enal.

Molecular Properties

Compound Name8,9-dihydroxynon-2-enal
PubChem CID121360685
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name8,9-dihydroxynon-2-enal
SMILESO=CC=CCCCCC(O)CO
InChIInChI=1S/C9H16O3/c10-7-5-3-1-2-4-6-9(12)8-11/h3,5,7,9,11-12H,1-2,4,6,8H2
InChIKeyHTUFNWKDEJLCPM-UHFFFAOYSA-N
XLogP0.66
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-7-hydroxyhept-2-enal
CID 88503133
9,10-dihydroxydec-2-enoic acid
CID 74394352
11,12-dihydroxydodec-2-enoic acid
CID 154629729
octadec-9-ene-1,2-diol
CID 139720566
(2S,4R,14E)-heptadeca-14,16-diene-1,2,4-triol
CID 38363735
(E,7R)-7-hydroxyoct-2-enal
CID 131236706
(E)-13-methyltetradec-2-enal
CID 11333582
(2E,13Z,24E)-hexacosa-2,13,24-trienedial
CID 24786697
dodecane-1,2,11,12-tetrol
CID 71392430
20,21-dihydroxyhenicosa-9,12-dienoic acid
CID 158956400
methyl (E)-9,10-dihydroxydec-2-enoate
CID 59411834
hexadecane-1,2-diol;(Z)-octadec-9-en-1-ol
CID 86739633

Frequently Asked Questions

What is the IUPAC name of 8,9-dihydroxynon-2-enal?
The IUPAC name of 8,9-dihydroxynon-2-enal (CID 121360685) is 8,9-dihydroxynon-2-enal.
What is the SMILES notation for 8,9-dihydroxynon-2-enal?
The canonical SMILES for 8,9-dihydroxynon-2-enal is O=CC=CCCCCC(O)CO.
What is the InChIKey of 8,9-dihydroxynon-2-enal?
The InChIKey is HTUFNWKDEJLCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c10-7-5-3-1-2-4-6-9(12)8-11/h3,5,7,9,11-12H,1-2,4,6,8H2.
What are the key properties of 8,9-dihydroxynon-2-enal?
8,9-dihydroxynon-2-enal has a molecular weight of 172.22 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dihydroxynon-2-enal is sourced from PubChem (CID 121360685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).