(4E,5E,6E)-4,5-di(ethylidene)-2,7-dimethylnona-2,6-diene

C15H24 — CID 144520293

IUPAC(4E,5E,6E)-4,5-di(ethylidene)-2,7-dimethylnona-2,6-diene
SMILESC/C=C(C=C(C)C)/C(/C=C(\C)CC)=C/C
InChIInChI=1S/C15H24/c1-7-13(6)11-15(9-3)14(8-2)10-12(4)5/h8-11H,7H2,1-6H3/b13-11+,14-8+,15-9+
InChIKeyIJVJZVMMEGYQKD-UZXDVRJKSA-N
MW204.36 g/mol
LogP5.20
Rot. Bonds4

About (4E,5E,6E)-4,5-di(ethylidene)-2,7-dimethylnona-2,6-diene

(4E,5E,6E)-4,5-di(ethylidene)-2,7-dimethylnona-2,6-diene (PubChem CID 144520293) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (4E,5E,6E)-4,5-di(ethylidene)-2,7-dimethylnona-2,6-diene.

Molecular Properties

Compound Name(4E,5E,6E)-4,5-di(ethylidene)-2,7-dimethylnona-2,6-diene
PubChem CID144520293
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(4E,5E,6E)-4,5-di(ethylidene)-2,7-dimethylnona-2,6-diene
SMILESC/C=C(C=C(C)C)/C(/C=C(\C)CC)=C/C
InChIInChI=1S/C15H24/c1-7-13(6)11-15(9-3)14(8-2)10-12(4)5/h8-11H,7H2,1-6H3/b13-11+,14-8+,15-9+
InChIKeyIJVJZVMMEGYQKD-UZXDVRJKSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4E,5E,6E)-4,5-di(ethylidene)-2,7-dimethylnona-2,6-diene 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)-3-methylpent-2-ene;(E)-3-methylpent-2-ene
CID 44630372
ethane;(4E,6Z)-2,4,7-trimethyl-5-[(Z)-prop-1-enyl]nona-2,4,6-triene
CID 143893546
ethane;(E)-3-methylpent-2-ene
CID 144523626
3-methylpent-2-ene;zirconium
CID 174393280
(Z)-4-methylhex-3-en-2-one
CID 12930146
(2E,4Z)-3-tert-butyl-5-methylhepta-2,4-diene
CID 177352522
(2E,4Z)-N,5-dimethylhepta-2,4-dien-3-amine
CID 143169630
(2E,4E,6E)-5-ethyl-3,7-dimethylnona-2,4,6-triene
CID 10797426
ethane;3-methylpent-2-ene;propane
CID 144514263
(3Z)-2,4-dimethylhexa-1,3-diene;ethane
CID 145177084
(E)-3-methylpent-2-enoic acid
CID 5473433
(E)-4-[(E)-2-methylbut-1-enyl]-6-methylideneoct-4-en-3-one
CID 145025728

Frequently Asked Questions

What is the IUPAC name of (4E,5E,6E)-4,5-di(ethylidene)-2,7-dimethylnona-2,6-diene?
The IUPAC name of (4E,5E,6E)-4,5-di(ethylidene)-2,7-dimethylnona-2,6-diene (CID 144520293) is (4E,5E,6E)-4,5-di(ethylidene)-2,7-dimethylnona-2,6-diene.
What is the SMILES notation for (4E,5E,6E)-4,5-di(ethylidene)-2,7-dimethylnona-2,6-diene?
The canonical SMILES for (4E,5E,6E)-4,5-di(ethylidene)-2,7-dimethylnona-2,6-diene is C/C=C(C=C(C)C)/C(/C=C(\C)CC)=C/C.
What is the InChIKey of (4E,5E,6E)-4,5-di(ethylidene)-2,7-dimethylnona-2,6-diene?
The InChIKey is IJVJZVMMEGYQKD-UZXDVRJKSA-N. The full InChI is InChI=1S/C15H24/c1-7-13(6)11-15(9-3)14(8-2)10-12(4)5/h8-11H,7H2,1-6H3/b13-11+,14-8+,15-9+.
What are the key properties of (4E,5E,6E)-4,5-di(ethylidene)-2,7-dimethylnona-2,6-diene?
(4E,5E,6E)-4,5-di(ethylidene)-2,7-dimethylnona-2,6-diene has a molecular weight of 204.36 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E,6E)-4,5-di(ethylidene)-2,7-dimethylnona-2,6-diene is sourced from PubChem (CID 144520293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).