(7E)-nona-1,7-dien-5-yne

C9H12 — CID 15529252

IUPAC(7E)-nona-1,7-dien-5-yne
SMILESC=CCCC#C/C=C/C
InChIInChI=1S/C9H12/c1-3-5-7-9-8-6-4-2/h3-4,6H,1,5,7H2,2H3/b6-4+
InChIKeyILRDFDJZBBUZDH-GQCTYLIASA-N
MW120.19 g/mol
LogP2.53
Rot. Bonds2

About (7E)-nona-1,7-dien-5-yne

(7E)-nona-1,7-dien-5-yne (PubChem CID 15529252) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is (7E)-nona-1,7-dien-5-yne.

Molecular Properties

Compound Name(7E)-nona-1,7-dien-5-yne
PubChem CID15529252
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name(7E)-nona-1,7-dien-5-yne
SMILESC=CCCC#C/C=C/C
InChIInChI=1S/C9H12/c1-3-5-7-9-8-6-4-2/h3-4,6H,1,5,7H2,2H3/b6-4+
InChIKeyILRDFDJZBBUZDH-GQCTYLIASA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (7E)-nona-1,7-dien-5-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-oct-2-en-4-yne
CID 5367022
(E)-non-2-en-4-yne
CID 5367387
(E)-hex-4-en-2-yn-1-ol
CID 10996965
7-methyloct-1-en-5-yne
CID 174059005
(5Z)-hepta-1,5-dien-3-yne
CID 142841775
9-methyldec-1-en-5-yne
CID 123574839
non-2-en-4,7-diyne
CID 123643163
7-[hept-6-en-2-ynoxy(methyl)phosphoryl]oxyhept-1-en-5-yne
CID 118644182
1-chloroprop-1-ene;hexa-1,5-diene
CID 174915187
pentadec-13-en-11-ynyl acetate
CID 154077168
dodec-10-en-8-ynyl acetate
CID 154077171
N'-heptadeca-12,16-dien-10-ynyl-N,N,N'-trimethylethane-1,2-diamine
CID 163107415

Frequently Asked Questions

What is the IUPAC name of (7E)-nona-1,7-dien-5-yne?
The IUPAC name of (7E)-nona-1,7-dien-5-yne (CID 15529252) is (7E)-nona-1,7-dien-5-yne.
What is the SMILES notation for (7E)-nona-1,7-dien-5-yne?
The canonical SMILES for (7E)-nona-1,7-dien-5-yne is C=CCCC#C/C=C/C.
What is the InChIKey of (7E)-nona-1,7-dien-5-yne?
The InChIKey is ILRDFDJZBBUZDH-GQCTYLIASA-N. The full InChI is InChI=1S/C9H12/c1-3-5-7-9-8-6-4-2/h3-4,6H,1,5,7H2,2H3/b6-4+.
What are the key properties of (7E)-nona-1,7-dien-5-yne?
(7E)-nona-1,7-dien-5-yne has a molecular weight of 120.19 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-nona-1,7-dien-5-yne is sourced from PubChem (CID 15529252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).