4-butan-2-yl-5-tert-butyl-5,7-diethyl-2-methylundecane

C24H50 — CID 91527902

IUPAC4-butan-2-yl-5-tert-butyl-5,7-diethyl-2-methylundecane
SMILESCCCCC(CC)CC(CC)(C(CC(C)C)C(C)CC)C(C)(C)C
InChIInChI=1S/C24H50/c1-11-15-16-21(13-3)18-24(14-4,23(8,9)10)22(17-19(5)6)20(7)12-2/h19-22H,11-18H2,1-10H3
InChIKeyTYGSPBMJTAQIGL-UHFFFAOYSA-N
MW338.66 g/mol
LogP8.74
Rot. Bonds12

About 4-butan-2-yl-5-tert-butyl-5,7-diethyl-2-methylundecane

4-butan-2-yl-5-tert-butyl-5,7-diethyl-2-methylundecane (PubChem CID 91527902) has the molecular formula C24H50 and a molecular weight of 338.66 g/mol. Its IUPAC name is 4-butan-2-yl-5-tert-butyl-5,7-diethyl-2-methylundecane.

Molecular Properties

Compound Name4-butan-2-yl-5-tert-butyl-5,7-diethyl-2-methylundecane
PubChem CID91527902
Molecular FormulaC24H50
Molecular Weight338.66 g/mol
Exact Mass338.39
IUPAC Name4-butan-2-yl-5-tert-butyl-5,7-diethyl-2-methylundecane
SMILESCCCCC(CC)CC(CC)(C(CC(C)C)C(C)CC)C(C)(C)C
InChIInChI=1S/C24H50/c1-11-15-16-21(13-3)18-24(14-4,23(8,9)10)22(17-19(5)6)20(7)12-2/h19-22H,11-18H2,1-10H3
InChIKeyTYGSPBMJTAQIGL-UHFFFAOYSA-N
XLogP8.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.66
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-butan-2-yl-5-tert-butyl-5,7-diethyl-2-methylundecane 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

5,9-diethyl-7-(2-methylpropyl)tridecane
CID 173141748
4-ethyl-2-methyldecane
CID 19893744
4-ethyl-2,2-dimethylundecane
CID 57148290
(4R,7R)-7-ethyl-2-methylundecan-4-ol
CID 36690392
4-ethyl-2,2-dimethyloctane;2,2,4-trimethylhexane
CID 159606053
3,5-diethylnonan-3-amine
CID 63408454
8-ethyl-2-methyl-4-propyldodecane
CID 123360222
5-ethyl-8-(2-ethylhexyl)-7,7-dimethoxyhexadecane
CID 151119437
7-ethyl-2-methyldodecan-4-ol
CID 171564250
2-bromo-6-ethyl-4,4-dimethyldecane
CID 64717913
11-ethyl-2,4,5-trimethyltridecane
CID 91241452
1-chloro-4-ethyl-2,2-dimethyloctane
CID 66060389

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-5-tert-butyl-5,7-diethyl-2-methylundecane?
The IUPAC name of 4-butan-2-yl-5-tert-butyl-5,7-diethyl-2-methylundecane (CID 91527902) is 4-butan-2-yl-5-tert-butyl-5,7-diethyl-2-methylundecane.
What is the SMILES notation for 4-butan-2-yl-5-tert-butyl-5,7-diethyl-2-methylundecane?
The canonical SMILES for 4-butan-2-yl-5-tert-butyl-5,7-diethyl-2-methylundecane is CCCCC(CC)CC(CC)(C(CC(C)C)C(C)CC)C(C)(C)C.
What is the InChIKey of 4-butan-2-yl-5-tert-butyl-5,7-diethyl-2-methylundecane?
The InChIKey is TYGSPBMJTAQIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50/c1-11-15-16-21(13-3)18-24(14-4,23(8,9)10)22(17-19(5)6)20(7)12-2/h19-22H,11-18H2,1-10H3.
What are the key properties of 4-butan-2-yl-5-tert-butyl-5,7-diethyl-2-methylundecane?
4-butan-2-yl-5-tert-butyl-5,7-diethyl-2-methylundecane has a molecular weight of 338.66 g/mol, XLogP of 8.74, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-5-tert-butyl-5,7-diethyl-2-methylundecane is sourced from PubChem (CID 91527902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).