(4Z)-2,3,4-trimethylhexa-2,4-diene

C9H16 — CID 54453887

IUPAC(4Z)-2,3,4-trimethylhexa-2,4-diene
SMILESC/C=C(/C)\C(=C(C)C)C
InChIInChI=1S/C9H16/c1-6-8(4)9(5)7(2)3/h6H,1-5H3/b8-6-
InChIKeyWWVDCCOPIOUFOU-VURMDHGXSA-N
MW124.22 g/mol
LogP4.20
Rot. Bonds1

About (4Z)-2,3,4-trimethylhexa-2,4-diene

(4Z)-2,3,4-trimethylhexa-2,4-diene (PubChem CID 54453887) has the molecular formula C9H16 and a molecular weight of 124.22 g/mol. Its IUPAC name is (4Z)-2,3,4-trimethylhexa-2,4-diene.

Molecular Properties

Compound Name(4Z)-2,3,4-trimethylhexa-2,4-diene
PubChem CID54453887
Molecular FormulaC9H16
Molecular Weight124.22 g/mol
Exact Mass124.13
IUPAC Name(4Z)-2,3,4-trimethylhexa-2,4-diene
SMILESC/C=C(/C)\C(=C(C)C)C
InChIInChI=1S/C9H16/c1-6-8(4)9(5)7(2)3/h6H,1-5H3/b8-6-
InChIKeyWWVDCCOPIOUFOU-VURMDHGXSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity143

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.22
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4Z)-2,3,4-trimethylhexa-2,4-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

Myrcene
CID 31253
trans-Alloocimene
CID 5368821
Farnesene
CID 5281516
beta-Ocimene
CID 18756
beta-Farnesene
CID 5281517
beta-Ocimene, (3Z)-
CID 5320250
2,4,4-Trimethyl-2-pentene
CID 7869
beta-OCIMENE, (3E)-
CID 5281553
2,6-Dimethylocta-2,4,6-triene
CID 12658
2,4-Hexadiene, 3-methyl-
CID 5367612
1,3-Pentadiene, 2-methyl-
CID 14238
Geraniolene
CID 81203

Frequently Asked Questions

What is the IUPAC name of (4Z)-2,3,4-trimethylhexa-2,4-diene?
The IUPAC name of (4Z)-2,3,4-trimethylhexa-2,4-diene (CID 54453887) is (4Z)-2,3,4-trimethylhexa-2,4-diene.
What is the SMILES notation for (4Z)-2,3,4-trimethylhexa-2,4-diene?
The canonical SMILES for (4Z)-2,3,4-trimethylhexa-2,4-diene is C/C=C(/C)\C(=C(C)C)C.
What is the InChIKey of (4Z)-2,3,4-trimethylhexa-2,4-diene?
The InChIKey is WWVDCCOPIOUFOU-VURMDHGXSA-N. The full InChI is InChI=1S/C9H16/c1-6-8(4)9(5)7(2)3/h6H,1-5H3/b8-6-.
What are the key properties of (4Z)-2,3,4-trimethylhexa-2,4-diene?
(4Z)-2,3,4-trimethylhexa-2,4-diene has a molecular weight of 124.22 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2,3,4-trimethylhexa-2,4-diene is sourced from PubChem (CID 54453887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).