3,5-dimethyl-4-propan-2-ylundecane

C16H34 — CID 123891253

IUPAC3,5-dimethyl-4-propan-2-ylundecane
SMILESCCCCCCC(C)C(C(C)C)C(C)CC
InChIInChI=1S/C16H34/c1-7-9-10-11-12-15(6)16(13(3)4)14(5)8-2/h13-16H,7-12H2,1-6H3
InChIKeyFNHGLXSTFXOCBO-UHFFFAOYSA-N
MW226.45 g/mol
LogP5.91
Rot. Bonds9

About 3,5-dimethyl-4-propan-2-ylundecane

3,5-dimethyl-4-propan-2-ylundecane (PubChem CID 123891253) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 3,5-dimethyl-4-propan-2-ylundecane.

Molecular Properties

Compound Name3,5-dimethyl-4-propan-2-ylundecane
PubChem CID123891253
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name3,5-dimethyl-4-propan-2-ylundecane
SMILESCCCCCCC(C)C(C(C)C)C(C)CC
InChIInChI=1S/C16H34/c1-7-9-10-11-12-15(6)16(13(3)4)14(5)8-2/h13-16H,7-12H2,1-6H3
InChIKeyFNHGLXSTFXOCBO-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-4-propan-2-ylundecane 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

3,4-dimethyldecane;ethane
CID 170980289
2,3-dimethylnonacosane
CID 71331945
8,9-dimethylhexacosane
CID 160651612
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyloctacosane
CID 23345853
11,12-dimethyltricosane
CID 173430605
3,4,5-trimethyltridecane
CID 21201053
2,3,14,15-tetramethylhenicosane
CID 123460288
(3S)-2,3-dimethylnonane;methane
CID 159246988
(3R,4S)-2,3,4-trimethyltriacontane
CID 162967573
4,5-dimethylnonadecane
CID 123321090

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-propan-2-ylundecane?
The IUPAC name of 3,5-dimethyl-4-propan-2-ylundecane (CID 123891253) is 3,5-dimethyl-4-propan-2-ylundecane.
What is the SMILES notation for 3,5-dimethyl-4-propan-2-ylundecane?
The canonical SMILES for 3,5-dimethyl-4-propan-2-ylundecane is CCCCCCC(C)C(C(C)C)C(C)CC.
What is the InChIKey of 3,5-dimethyl-4-propan-2-ylundecane?
The InChIKey is FNHGLXSTFXOCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-7-9-10-11-12-15(6)16(13(3)4)14(5)8-2/h13-16H,7-12H2,1-6H3.
What are the key properties of 3,5-dimethyl-4-propan-2-ylundecane?
3,5-dimethyl-4-propan-2-ylundecane has a molecular weight of 226.45 g/mol, XLogP of 5.91, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-propan-2-ylundecane is sourced from PubChem (CID 123891253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).