7-tert-butyl-4,5-dimethyl-8-propylundecane

C20H42 — CID 123567067

IUPAC7-tert-butyl-4,5-dimethyl-8-propylundecane
SMILESCCCC(C)C(C)CC(C(CCC)CCC)C(C)(C)C
InChIInChI=1S/C20H42/c1-9-12-16(4)17(5)15-19(20(6,7)8)18(13-10-2)14-11-3/h16-19H,9-15H2,1-8H3
InChIKeyVEEMZIYHJBEHPC-UHFFFAOYSA-N
MW282.56 g/mol
LogP7.33
Rot. Bonds10

About 7-tert-butyl-4,5-dimethyl-8-propylundecane

7-tert-butyl-4,5-dimethyl-8-propylundecane (PubChem CID 123567067) has the molecular formula C20H42 and a molecular weight of 282.56 g/mol. Its IUPAC name is 7-tert-butyl-4,5-dimethyl-8-propylundecane.

Molecular Properties

Compound Name7-tert-butyl-4,5-dimethyl-8-propylundecane
PubChem CID123567067
Molecular FormulaC20H42
Molecular Weight282.56 g/mol
Exact Mass282.33
IUPAC Name7-tert-butyl-4,5-dimethyl-8-propylundecane
SMILESCCCC(C)C(C)CC(C(CCC)CCC)C(C)(C)C
InChIInChI=1S/C20H42/c1-9-12-16(4)17(5)15-19(20(6,7)8)18(13-10-2)14-11-3/h16-19H,9-15H2,1-8H3
InChIKeyVEEMZIYHJBEHPC-UHFFFAOYSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.56
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7-tert-butyl-4,5-dimethyl-8-propylundecane 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

3-ethyl-2,2,4-trimethylheptane
CID 22354769
5-tert-butyl-4,6-dimethylnonane
CID 91526510
4,5,7-trimethyldecane
CID 57490926
2,5-dimethyl-4-propyloctane
CID 57491236
3-fluoro-2,2,4-trimethylheptane
CID 123271530
(3R)-3,4-dimethylheptane
CID 59819300
3-tert-butyl-2,2-dimethylhexane
CID 53428784
2,2,3,4,6,7,8,9-octamethyldodecane
CID 123701527
2,2,3,5-tetramethyl-4-(2-methylpropyl)octane
CID 90766744
N-tert-butyl-3-methyl-2-propylhexan-1-amine
CID 107897126
2-methyl-4-propan-2-ylheptane
CID 21201044
4,5-diethyloctane
CID 519254

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-4,5-dimethyl-8-propylundecane?
The IUPAC name of 7-tert-butyl-4,5-dimethyl-8-propylundecane (CID 123567067) is 7-tert-butyl-4,5-dimethyl-8-propylundecane.
What is the SMILES notation for 7-tert-butyl-4,5-dimethyl-8-propylundecane?
The canonical SMILES for 7-tert-butyl-4,5-dimethyl-8-propylundecane is CCCC(C)C(C)CC(C(CCC)CCC)C(C)(C)C.
What is the InChIKey of 7-tert-butyl-4,5-dimethyl-8-propylundecane?
The InChIKey is VEEMZIYHJBEHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42/c1-9-12-16(4)17(5)15-19(20(6,7)8)18(13-10-2)14-11-3/h16-19H,9-15H2,1-8H3.
What are the key properties of 7-tert-butyl-4,5-dimethyl-8-propylundecane?
7-tert-butyl-4,5-dimethyl-8-propylundecane has a molecular weight of 282.56 g/mol, XLogP of 7.33, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-4,5-dimethyl-8-propylundecane is sourced from PubChem (CID 123567067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).