2,4,4-trimethyl-6-(2,2,4-trimethylpent-3-enyl)undeca-1,6-diene

C22H40 — CID 173302117

IUPAC2,4,4-trimethyl-6-(2,2,4-trimethylpent-3-enyl)undeca-1,6-diene
SMILESC=C(C)CC(C)(C)CC(=CCCCC)CC(C)(C)C=C(C)C
InChIInChI=1S/C22H40/c1-10-11-12-13-20(16-21(6,7)14-18(2)3)17-22(8,9)15-19(4)5/h13,15H,2,10-12,14,16-17H2,1,3-9H3
InChIKeyVTPAVJGRALDRNR-UHFFFAOYSA-N
MW304.56 g/mol
LogP7.87
Rot. Bonds10

About 2,4,4-trimethyl-6-(2,2,4-trimethylpent-3-enyl)undeca-1,6-diene

2,4,4-trimethyl-6-(2,2,4-trimethylpent-3-enyl)undeca-1,6-diene (PubChem CID 173302117) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is 2,4,4-trimethyl-6-(2,2,4-trimethylpent-3-enyl)undeca-1,6-diene.

Molecular Properties

Compound Name2,4,4-trimethyl-6-(2,2,4-trimethylpent-3-enyl)undeca-1,6-diene
PubChem CID173302117
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Name2,4,4-trimethyl-6-(2,2,4-trimethylpent-3-enyl)undeca-1,6-diene
SMILESC=C(C)CC(C)(C)CC(=CCCCC)CC(C)(C)C=C(C)C
InChIInChI=1S/C22H40/c1-10-11-12-13-20(16-21(6,7)14-18(2)3)17-22(8,9)15-19(4)5/h13,15H,2,10-12,14,16-17H2,1,3-9H3
InChIKeyVTPAVJGRALDRNR-UHFFFAOYSA-N
XLogP7.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 57.87
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'}

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Related Compounds

2,4,4-trimethyltrideca-1,6-diene
CID 173214463
5-butyldec-5-ene
CID 15367252
2,4,4-trimethylpent-1-ene;2,4,4-trimethylpent-2-ene
CID 102601787
(4Z)-3-chloro-3-methylnona-1,4-dien-4-ol
CID 141027000
2,4,4-trimethylhepta-1,6-diene
CID 15205594
hex-1-ene;2-methylbut-1-ene
CID 172686626
2,4,4,6,6,8,8-heptamethylundec-1-ene
CID 140893403
(E)-2,2,4-trimethylnon-4-en-3-one
CID 24828917
2-methylundeca-1,6-diene
CID 173154459
(Z)-6-ethylundec-5-ene
CID 102395453
2,2-dimethylpropane;2-methylbut-1-ene
CID 143831735
6-but-3-enylundec-5-ene
CID 175604852

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-6-(2,2,4-trimethylpent-3-enyl)undeca-1,6-diene?
The IUPAC name of 2,4,4-trimethyl-6-(2,2,4-trimethylpent-3-enyl)undeca-1,6-diene (CID 173302117) is 2,4,4-trimethyl-6-(2,2,4-trimethylpent-3-enyl)undeca-1,6-diene.
What is the SMILES notation for 2,4,4-trimethyl-6-(2,2,4-trimethylpent-3-enyl)undeca-1,6-diene?
The canonical SMILES for 2,4,4-trimethyl-6-(2,2,4-trimethylpent-3-enyl)undeca-1,6-diene is C=C(C)CC(C)(C)CC(=CCCCC)CC(C)(C)C=C(C)C.
What is the InChIKey of 2,4,4-trimethyl-6-(2,2,4-trimethylpent-3-enyl)undeca-1,6-diene?
The InChIKey is VTPAVJGRALDRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40/c1-10-11-12-13-20(16-21(6,7)14-18(2)3)17-22(8,9)15-19(4)5/h13,15H,2,10-12,14,16-17H2,1,3-9H3.
What are the key properties of 2,4,4-trimethyl-6-(2,2,4-trimethylpent-3-enyl)undeca-1,6-diene?
2,4,4-trimethyl-6-(2,2,4-trimethylpent-3-enyl)undeca-1,6-diene has a molecular weight of 304.56 g/mol, XLogP of 7.87, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-6-(2,2,4-trimethylpent-3-enyl)undeca-1,6-diene is sourced from PubChem (CID 173302117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).