2,2-diethylundecylbenzene

C21H36 — CID 151975771

IUPAC2,2-diethylundecylbenzene
SMILESCCCCCCCCCC(CC)(CC)Cc1ccccc1
InChIInChI=1S/C21H36/c1-4-7-8-9-10-11-15-18-21(5-2,6-3)19-20-16-13-12-14-17-20/h12-14,16-17H,4-11,15,18-19H2,1-3H3
InChIKeyUBQBQKZVPOPHFP-UHFFFAOYSA-N
MW288.52 g/mol
LogP7.18
Rot. Bonds12

About 2,2-diethylundecylbenzene

2,2-diethylundecylbenzene (PubChem CID 151975771) has the molecular formula C21H36 and a molecular weight of 288.52 g/mol. Its IUPAC name is 2,2-diethylundecylbenzene.

Molecular Properties

Compound Name2,2-diethylundecylbenzene
PubChem CID151975771
Molecular FormulaC21H36
Molecular Weight288.52 g/mol
Exact Mass288.28
IUPAC Name2,2-diethylundecylbenzene
SMILESCCCCCCCCCC(CC)(CC)Cc1ccccc1
InChIInChI=1S/C21H36/c1-4-7-8-9-10-11-15-18-21(5-2,6-3)19-20-16-13-12-14-17-20/h12-14,16-17H,4-11,15,18-19H2,1-3H3
InChIKeyUBQBQKZVPOPHFP-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.52
LogP ≤ 57.18
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

8-benzylpentadecan-8-ol
CID 13016086
(2-chloro-2-nonyldodecyl)benzene
CID 142488701
[2-(10-benzylnonadecan-10-yloxy)-2-nonylundecyl]benzene
CID 175936461
2-[[4-[2,2-bis(hydroxymethyl)tetradecyl]phenyl]methyl]-2-dodecylpropane-1,3-diol
CID 142736441
2,2-dibenzyltetradecanoic acid
CID 174897332
(6,6-dibenzyl-7-phenylheptyl)phosphane;hydroiodide
CID 173157973
3-benzyldodecan-3-yl-hydroxy-dimethylazanium chloride
CID 88846129
3-benzyl-3-decyltridecan-2-one
CID 21201320
2,2-bis(phenylselanyl)dodecylbenzene
CID 134930087
2-benzyl-2-ethylpropane-1,3-diol
CID 19862076
2-benzyl-2-pentylpropanedioic acid
CID 141045476
1,2-diphenylheptan-2-ol
CID 139785734

Frequently Asked Questions

What is the IUPAC name of 2,2-diethylundecylbenzene?
The IUPAC name of 2,2-diethylundecylbenzene (CID 151975771) is 2,2-diethylundecylbenzene.
What is the SMILES notation for 2,2-diethylundecylbenzene?
The canonical SMILES for 2,2-diethylundecylbenzene is CCCCCCCCCC(CC)(CC)Cc1ccccc1.
What is the InChIKey of 2,2-diethylundecylbenzene?
The InChIKey is UBQBQKZVPOPHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36/c1-4-7-8-9-10-11-15-18-21(5-2,6-3)19-20-16-13-12-14-17-20/h12-14,16-17H,4-11,15,18-19H2,1-3H3.
What are the key properties of 2,2-diethylundecylbenzene?
2,2-diethylundecylbenzene has a molecular weight of 288.52 g/mol, XLogP of 7.18, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethylundecylbenzene is sourced from PubChem (CID 151975771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).