(Z)-non-2-en-6,8-diynal

C9H8O — CID 131234800

IUPAC(Z)-non-2-en-6,8-diynal
SMILESC#CC#CCC/C=C\C=O
InChIInChI=1S/C9H8O/c1-2-3-4-5-6-7-8-9-10/h1,7-9H,5-6H2/b8-7-
InChIKeyZVHDORXSHJVKLV-FPLPWBNLSA-N
MW132.16 g/mol
LogP1.16
Rot. Bonds3

About (Z)-non-2-en-6,8-diynal

(Z)-non-2-en-6,8-diynal (PubChem CID 131234800) has the molecular formula C9H8O and a molecular weight of 132.16 g/mol. Its IUPAC name is (Z)-non-2-en-6,8-diynal.

Molecular Properties

Compound Name(Z)-non-2-en-6,8-diynal
PubChem CID131234800
Molecular FormulaC9H8O
Molecular Weight132.16 g/mol
Exact Mass132.06
IUPAC Name(Z)-non-2-en-6,8-diynal
SMILESC#CC#CCC/C=C\C=O
InChIInChI=1S/C9H8O/c1-2-3-4-5-6-7-8-9-10/h1,7-9H,5-6H2/b8-7-
InChIKeyZVHDORXSHJVKLV-FPLPWBNLSA-N
XLogP1.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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Related Compounds

(2E,4E)-N-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide;(2E,4E)-undeca-2,4-dien-8,10-diynoic acid
CID 160813359
(E)-N-(2-methylpropyl)non-2-en-6,8-diynamide
CID 101414630
methane;molecular hydrogen;(2E,6Z)-nona-2,6-dienal;(2E,6E)-nona-2,6-dienal;nona-1,3,5,7-tetrayne;hydrate
CID 160723064
(2E,13Z,24E)-hexacosa-2,13,24-trien-10,16-diynedial
CID 25112076
(E)-5-chloropent-2-enal
CID 15636911
(E)-N-(2-methylbutyl)non-2-en-6,8-diynamide
CID 86675571
dodeca-2,4-dien-8,10-diynoic acid
CID 91310253
(2E,13Z,24E)-hexacosa-2,13,24-trienedial
CID 24786697
(E)-hex-2-enal
CID 158800846
(E)-hept-2-enedial
CID 5283323
methyl (E)-9-trimethylsilylnon-2-en-6,8-diynoate;(E)-non-2-en-6,8-diynoic acid
CID 160947135
11-trimethylsilylundeca-2,4-dien-8,10-diynoic acid
CID 173038300

Frequently Asked Questions

What is the IUPAC name of (Z)-non-2-en-6,8-diynal?
The IUPAC name of (Z)-non-2-en-6,8-diynal (CID 131234800) is (Z)-non-2-en-6,8-diynal.
What is the SMILES notation for (Z)-non-2-en-6,8-diynal?
The canonical SMILES for (Z)-non-2-en-6,8-diynal is C#CC#CCC/C=C\C=O.
What is the InChIKey of (Z)-non-2-en-6,8-diynal?
The InChIKey is ZVHDORXSHJVKLV-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H8O/c1-2-3-4-5-6-7-8-9-10/h1,7-9H,5-6H2/b8-7-.
What are the key properties of (Z)-non-2-en-6,8-diynal?
(Z)-non-2-en-6,8-diynal has a molecular weight of 132.16 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-non-2-en-6,8-diynal is sourced from PubChem (CID 131234800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).