3,3,9-trimethyl-6-(2-methylbut-3-enyl)-5-pentan-2-ylundeca-1,5,10-triene

C24H42 — CID 173077250

IUPAC3,3,9-trimethyl-6-(2-methylbut-3-enyl)-5-pentan-2-ylundeca-1,5,10-triene
SMILESC=CC(C)CCC(CC(C)C=C)=C(CC(C)(C)C=C)C(C)CCC
InChIInChI=1S/C24H42/c1-10-14-21(7)23(18-24(8,9)13-4)22(17-20(6)12-3)16-15-19(5)11-2/h11-13,19-21H,2-4,10,14-18H2,1,5-9H3
InChIKeyHYZRJTWODCYYME-UHFFFAOYSA-N
MW330.60 g/mol
LogP8.14
Rot. Bonds13

About 3,3,9-trimethyl-6-(2-methylbut-3-enyl)-5-pentan-2-ylundeca-1,5,10-triene

3,3,9-trimethyl-6-(2-methylbut-3-enyl)-5-pentan-2-ylundeca-1,5,10-triene (PubChem CID 173077250) has the molecular formula C24H42 and a molecular weight of 330.60 g/mol. Its IUPAC name is 3,3,9-trimethyl-6-(2-methylbut-3-enyl)-5-pentan-2-ylundeca-1,5,10-triene.

Molecular Properties

Compound Name3,3,9-trimethyl-6-(2-methylbut-3-enyl)-5-pentan-2-ylundeca-1,5,10-triene
PubChem CID173077250
Molecular FormulaC24H42
Molecular Weight330.60 g/mol
Exact Mass330.33
IUPAC Name3,3,9-trimethyl-6-(2-methylbut-3-enyl)-5-pentan-2-ylundeca-1,5,10-triene
SMILESC=CC(C)CCC(CC(C)C=C)=C(CC(C)(C)C=C)C(C)CCC
InChIInChI=1S/C24H42/c1-10-14-21(7)23(18-24(8,9)13-4)22(17-20(6)12-3)16-15-19(5)11-2/h11-13,19-21H,2-4,10,14-18H2,1,5-9H3
InChIKeyHYZRJTWODCYYME-UHFFFAOYSA-N
XLogP8.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,3,9-trimethyl-6-(2-methylbut-3-enyl)-5-pentan-2-ylundeca-1,5,10-triene with MolForge

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Related Compounds

carbonic acid;3-methylhex-1-ene
CID 161181273
butane;3,6-dimethylocta-1,7-diene;ethane;propane
CID 144723339
N-ethyl-5-methylhept-6-en-2-imine
CID 126728063
3,6,7,10-tetramethyldodec-1-ene
CID 143243689
N,5-dimethylhepta-1,6-dien-2-amine
CID 155584945
N,4-dimethylhex-5-enamide
CID 155715427
2,6-dimethyloct-7-en-2-ol;3,7-dimethyloct-1-en-3-ol
CID 174922668
3,6,8-trimethyldodec-1-ene
CID 123174555
3,5,6,6-tetramethyloct-1-ene
CID 123650579
3,3,6-trimethyloct-1-ene
CID 123906537
acetylene;3-methylhept-1-ene;propane
CID 144520771
(6E)-3,6-dimethyl-8-propoxyocta-1,6-diene
CID 87448606

Frequently Asked Questions

What is the IUPAC name of 3,3,9-trimethyl-6-(2-methylbut-3-enyl)-5-pentan-2-ylundeca-1,5,10-triene?
The IUPAC name of 3,3,9-trimethyl-6-(2-methylbut-3-enyl)-5-pentan-2-ylundeca-1,5,10-triene (CID 173077250) is 3,3,9-trimethyl-6-(2-methylbut-3-enyl)-5-pentan-2-ylundeca-1,5,10-triene.
What is the SMILES notation for 3,3,9-trimethyl-6-(2-methylbut-3-enyl)-5-pentan-2-ylundeca-1,5,10-triene?
The canonical SMILES for 3,3,9-trimethyl-6-(2-methylbut-3-enyl)-5-pentan-2-ylundeca-1,5,10-triene is C=CC(C)CCC(CC(C)C=C)=C(CC(C)(C)C=C)C(C)CCC.
What is the InChIKey of 3,3,9-trimethyl-6-(2-methylbut-3-enyl)-5-pentan-2-ylundeca-1,5,10-triene?
The InChIKey is HYZRJTWODCYYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42/c1-10-14-21(7)23(18-24(8,9)13-4)22(17-20(6)12-3)16-15-19(5)11-2/h11-13,19-21H,2-4,10,14-18H2,1,5-9H3.
What are the key properties of 3,3,9-trimethyl-6-(2-methylbut-3-enyl)-5-pentan-2-ylundeca-1,5,10-triene?
3,3,9-trimethyl-6-(2-methylbut-3-enyl)-5-pentan-2-ylundeca-1,5,10-triene has a molecular weight of 330.60 g/mol, XLogP of 8.14, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,9-trimethyl-6-(2-methylbut-3-enyl)-5-pentan-2-ylundeca-1,5,10-triene is sourced from PubChem (CID 173077250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).