4-ethyl-2,2-dimethylundecane

C15H32 — CID 57148290

IUPAC4-ethyl-2,2-dimethylundecane
SMILESCCCCCCCC(CC)CC(C)(C)C
InChIInChI=1S/C15H32/c1-6-8-9-10-11-12-14(7-2)13-15(3,4)5/h14H,6-13H2,1-5H3
InChIKeyNDLYPSJFVLDLNO-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.81
Rot. Bonds8

About 4-ethyl-2,2-dimethylundecane

4-ethyl-2,2-dimethylundecane (PubChem CID 57148290) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 4-ethyl-2,2-dimethylundecane.

Molecular Properties

Compound Name4-ethyl-2,2-dimethylundecane
PubChem CID57148290
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name4-ethyl-2,2-dimethylundecane
SMILESCCCCCCCC(CC)CC(C)(C)C
InChIInChI=1S/C15H32/c1-6-8-9-10-11-12-14(7-2)13-15(3,4)5/h14H,6-13H2,1-5H3
InChIKeyNDLYPSJFVLDLNO-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2,2,9,9-tetramethyldecane
CID 157105314
4-ethyl-2,2-dimethyloctane;2,2,4-trimethylhexane
CID 159606053
5-tert-butylnonane;7-tert-butyltridecane;5-tert-butylundecane;7-(2,2-dimethylpropyl)pentadecane;5-(2,2-dimethylpropyl)undecane;3-ethyl-2,2-dimethylheptane
CID 157082201
5-ethyl-2,2-dimethyltetradecane
CID 162426700
3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
(3R)-3-(2,2-dimethylpropyl)octan-1-ol
CID 118887517
9-tert-butylheptadecane;9-tert-butylnonadecane;5-tert-butylnonane;7-tert-butylpentadecane;7-tert-butyltridecane;5-tert-butylundecane;6-tert-butylundecane;9-(2,2-dimethylpropyl)nonadecane;7-(2,2-dimethylpropyl)pentadecane;5-(2,2-dimethylpropyl)undecane;methane
CID 165097427

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2-dimethylundecane?
The IUPAC name of 4-ethyl-2,2-dimethylundecane (CID 57148290) is 4-ethyl-2,2-dimethylundecane.
What is the SMILES notation for 4-ethyl-2,2-dimethylundecane?
The canonical SMILES for 4-ethyl-2,2-dimethylundecane is CCCCCCCC(CC)CC(C)(C)C.
What is the InChIKey of 4-ethyl-2,2-dimethylundecane?
The InChIKey is NDLYPSJFVLDLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-6-8-9-10-11-12-14(7-2)13-15(3,4)5/h14H,6-13H2,1-5H3.
What are the key properties of 4-ethyl-2,2-dimethylundecane?
4-ethyl-2,2-dimethylundecane has a molecular weight of 212.42 g/mol, XLogP of 5.81, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2-dimethylundecane is sourced from PubChem (CID 57148290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).