(E)-7,8-bis[(E)-pent-1-enyl]tetradec-7-en-5,9-diyne

C24H36 — CID 101157076

IUPAC(E)-7,8-bis[(E)-pent-1-enyl]tetradec-7-en-5,9-diyne
SMILESCCC/C=C/C(C#CCCCC)=C(C#CCCCC)/C=C/CCC
InChIInChI=1S/C24H36/c1-5-9-13-17-21-23(19-15-11-7-3)24(20-16-12-8-4)22-18-14-10-6-2/h15-16,19-20H,5-14H2,1-4H3/b19-15+,20-16+,24-23+
InChIKeyIXANDHIZCLWYKV-PKYXWRJPSA-N
MW324.55 g/mol
LogP7.38
Rot. Bonds10

About (E)-7,8-bis[(E)-pent-1-enyl]tetradec-7-en-5,9-diyne

(E)-7,8-bis[(E)-pent-1-enyl]tetradec-7-en-5,9-diyne (PubChem CID 101157076) has the molecular formula C24H36 and a molecular weight of 324.55 g/mol. Its IUPAC name is (E)-7,8-bis[(E)-pent-1-enyl]tetradec-7-en-5,9-diyne.

Molecular Properties

Compound Name(E)-7,8-bis[(E)-pent-1-enyl]tetradec-7-en-5,9-diyne
PubChem CID101157076
Molecular FormulaC24H36
Molecular Weight324.55 g/mol
Exact Mass324.28
IUPAC Name(E)-7,8-bis[(E)-pent-1-enyl]tetradec-7-en-5,9-diyne
SMILESCCC/C=C/C(C#CCCCC)=C(C#CCCCC)/C=C/CCC
InChIInChI=1S/C24H36/c1-5-9-13-17-21-23(19-15-11-7-3)24(20-16-12-8-4)22-18-14-10-6-2/h15-16,19-20H,5-14H2,1-4H3/b19-15+,20-16+,24-23+
InChIKeyIXANDHIZCLWYKV-PKYXWRJPSA-N
XLogP7.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (E)-7,8-bis[(E)-pent-1-enyl]tetradec-7-en-5,9-diyne 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

methyl hex-2-enoate;methyl oct-2-ynoate
CID 174923116
(Z)-3-[(1Z)-3-bromobuta-1,3-dienyl]-2-ethylnon-2-en-4-ynenitrile
CID 155468158
(3E)-2-methylhepta-1,3-diene
CID 12928201
2-methylhepta-1,3-diene
CID 54310621
non-4-yn-3-one
CID 10887980
pentadeca-5,10-diyne
CID 15530767
(2E,4E)-dodeca-2,4-dien-7-yn-6-one
CID 134857744
6-butylideneundeca-4,7-diyne-1,11-diol
CID 134987425
6-but-1-ynyl-7-but-3-ynyl-8-hept-1-enyl-9-hept-1-ynyl-7-hex-1-ynyl-6-pent-1-ynylheptadeca-4,8-dien-10-yne
CID 141370048
hept-3-en-2-one;oct-3-en-2-one
CID 159843047
undec-6-yn-5-one
CID 11240698
7,8-dimethyltetradeca-5,9-diyne-7,8-diol
CID 102249526

Frequently Asked Questions

What is the IUPAC name of (E)-7,8-bis[(E)-pent-1-enyl]tetradec-7-en-5,9-diyne?
The IUPAC name of (E)-7,8-bis[(E)-pent-1-enyl]tetradec-7-en-5,9-diyne (CID 101157076) is (E)-7,8-bis[(E)-pent-1-enyl]tetradec-7-en-5,9-diyne.
What is the SMILES notation for (E)-7,8-bis[(E)-pent-1-enyl]tetradec-7-en-5,9-diyne?
The canonical SMILES for (E)-7,8-bis[(E)-pent-1-enyl]tetradec-7-en-5,9-diyne is CCC/C=C/C(C#CCCCC)=C(C#CCCCC)/C=C/CCC.
What is the InChIKey of (E)-7,8-bis[(E)-pent-1-enyl]tetradec-7-en-5,9-diyne?
The InChIKey is IXANDHIZCLWYKV-PKYXWRJPSA-N. The full InChI is InChI=1S/C24H36/c1-5-9-13-17-21-23(19-15-11-7-3)24(20-16-12-8-4)22-18-14-10-6-2/h15-16,19-20H,5-14H2,1-4H3/b19-15+,20-16+,24-23+.
What are the key properties of (E)-7,8-bis[(E)-pent-1-enyl]tetradec-7-en-5,9-diyne?
(E)-7,8-bis[(E)-pent-1-enyl]tetradec-7-en-5,9-diyne has a molecular weight of 324.55 g/mol, XLogP of 7.38, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7,8-bis[(E)-pent-1-enyl]tetradec-7-en-5,9-diyne is sourced from PubChem (CID 101157076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).