7-ethyl-3,4,5,7-tetramethyl-6-(2-methylpropyl)undec-1-ene

C21H42 — CID 90833224

IUPAC7-ethyl-3,4,5,7-tetramethyl-6-(2-methylpropyl)undec-1-ene
SMILESC=CC(C)C(C)C(C)C(CC(C)C)C(C)(CC)CCCC
InChIInChI=1S/C21H42/c1-10-13-14-21(9,12-3)20(15-16(4)5)19(8)18(7)17(6)11-2/h11,16-20H,2,10,12-15H2,1,3-9H3
InChIKeyJFPYEAALYQHUNZ-UHFFFAOYSA-N
MW294.57 g/mol
LogP7.35
Rot. Bonds11

About 7-ethyl-3,4,5,7-tetramethyl-6-(2-methylpropyl)undec-1-ene

7-ethyl-3,4,5,7-tetramethyl-6-(2-methylpropyl)undec-1-ene (PubChem CID 90833224) has the molecular formula C21H42 and a molecular weight of 294.57 g/mol. Its IUPAC name is 7-ethyl-3,4,5,7-tetramethyl-6-(2-methylpropyl)undec-1-ene.

Molecular Properties

Compound Name7-ethyl-3,4,5,7-tetramethyl-6-(2-methylpropyl)undec-1-ene
PubChem CID90833224
Molecular FormulaC21H42
Molecular Weight294.57 g/mol
Exact Mass294.33
IUPAC Name7-ethyl-3,4,5,7-tetramethyl-6-(2-methylpropyl)undec-1-ene
SMILESC=CC(C)C(C)C(C)C(CC(C)C)C(C)(CC)CCCC
InChIInChI=1S/C21H42/c1-10-13-14-21(9,12-3)20(15-16(4)5)19(8)18(7)17(6)11-2/h11,16-20H,2,10,12-15H2,1,3-9H3
InChIKeyJFPYEAALYQHUNZ-UHFFFAOYSA-N
XLogP7.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.57
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-3,4-dimethylhex-1-ene
CID 19044878
2,2-dimethylhexane;2,4-dimethylpentane;ethane
CID 145269635
3-ethyl-2,3-dimethylnonane
CID 57490996
3-ethyl-2,3-dimethyldecane
CID 57491701
(3S)-3-amino-4-ethyl-4-methyloctan-2-ol
CID 88936952
3-methylbut-1-ene;1,1,1-trifluoropentane
CID 177138498
7-ethenyl-6-ethyl-3,5,6,7-tetramethylundecane
CID 123319069
3,4,5-trimethyloct-1-ene
CID 123841596
ethane;3-methyl-3-propan-2-ylhept-1-ene
CID 162730739
6-methyl-6-propan-2-ylundecane
CID 87930599
2,2-dimethylhexane;tris(prop-1-ene)
CID 160899116
6-ethyl-2,6,7-trimethyldecane
CID 123269799

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3,4,5,7-tetramethyl-6-(2-methylpropyl)undec-1-ene?
The IUPAC name of 7-ethyl-3,4,5,7-tetramethyl-6-(2-methylpropyl)undec-1-ene (CID 90833224) is 7-ethyl-3,4,5,7-tetramethyl-6-(2-methylpropyl)undec-1-ene.
What is the SMILES notation for 7-ethyl-3,4,5,7-tetramethyl-6-(2-methylpropyl)undec-1-ene?
The canonical SMILES for 7-ethyl-3,4,5,7-tetramethyl-6-(2-methylpropyl)undec-1-ene is C=CC(C)C(C)C(C)C(CC(C)C)C(C)(CC)CCCC.
What is the InChIKey of 7-ethyl-3,4,5,7-tetramethyl-6-(2-methylpropyl)undec-1-ene?
The InChIKey is JFPYEAALYQHUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42/c1-10-13-14-21(9,12-3)20(15-16(4)5)19(8)18(7)17(6)11-2/h11,16-20H,2,10,12-15H2,1,3-9H3.
What are the key properties of 7-ethyl-3,4,5,7-tetramethyl-6-(2-methylpropyl)undec-1-ene?
7-ethyl-3,4,5,7-tetramethyl-6-(2-methylpropyl)undec-1-ene has a molecular weight of 294.57 g/mol, XLogP of 7.35, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3,4,5,7-tetramethyl-6-(2-methylpropyl)undec-1-ene is sourced from PubChem (CID 90833224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).