4,4-dimethylhenicosa-1,20-diene

C23H44 — CID 173392641

IUPAC4,4-dimethylhenicosa-1,20-diene
SMILESC=CCCCCCCCCCCCCCCCC(C)(C)CC=C
InChIInChI=1S/C23H44/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(3,4)21-6-2/h5-6H,1-2,7-22H2,3-4H3
InChIKeyDLWXQZGSARUSTF-UHFFFAOYSA-N
MW320.61 g/mol
LogP8.63
Rot. Bonds18

About 4,4-dimethylhenicosa-1,20-diene

4,4-dimethylhenicosa-1,20-diene (PubChem CID 173392641) has the molecular formula C23H44 and a molecular weight of 320.61 g/mol. Its IUPAC name is 4,4-dimethylhenicosa-1,20-diene.

Molecular Properties

Compound Name4,4-dimethylhenicosa-1,20-diene
PubChem CID173392641
Molecular FormulaC23H44
Molecular Weight320.61 g/mol
Exact Mass320.34
IUPAC Name4,4-dimethylhenicosa-1,20-diene
SMILESC=CCCCCCCCCCCCCCCCC(C)(C)CC=C
InChIInChI=1S/C23H44/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(3,4)21-6-2/h5-6H,1-2,7-22H2,3-4H3
InChIKeyDLWXQZGSARUSTF-UHFFFAOYSA-N
XLogP8.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.61
LogP ≤ 58.63
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'}

Analyze 4,4-dimethylhenicosa-1,20-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

15-chloro-4,4-dimethylpentadec-1-ene
CID 174926161
3,3-dimethyldec-9-en-1-amine
CID 107010664
azane;4,4-dimethylhenicos-1-ene;hydrochloride
CID 174854097
7,7,10-trimethylundec-1-ene
CID 173422023
7-fluoro-7-methyloct-1-ene
CID 87159398
2,3,3-trimethyltetradec-13-en-2-ol
CID 15425796
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
2,2-dimethylhept-6-en-1-ol
CID 12063159
4-ethenyl-4-prop-2-enyldeca-1,9-diene
CID 141075393
8,8,8-trifluorooct-1-ene
CID 11008282
6,6-dimethylnon-8-en-2-one
CID 146166947

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylhenicosa-1,20-diene?
The IUPAC name of 4,4-dimethylhenicosa-1,20-diene (CID 173392641) is 4,4-dimethylhenicosa-1,20-diene.
What is the SMILES notation for 4,4-dimethylhenicosa-1,20-diene?
The canonical SMILES for 4,4-dimethylhenicosa-1,20-diene is C=CCCCCCCCCCCCCCCCC(C)(C)CC=C.
What is the InChIKey of 4,4-dimethylhenicosa-1,20-diene?
The InChIKey is DLWXQZGSARUSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23(3,4)21-6-2/h5-6H,1-2,7-22H2,3-4H3.
What are the key properties of 4,4-dimethylhenicosa-1,20-diene?
4,4-dimethylhenicosa-1,20-diene has a molecular weight of 320.61 g/mol, XLogP of 8.63, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylhenicosa-1,20-diene is sourced from PubChem (CID 173392641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).