4-(10,10-dimethylundecyl)-1,2-dimethylbenzene

C21H36 — CID 150895968

IUPAC4-(10,10-dimethylundecyl)-1,2-dimethylbenzene
SMILESCc1ccc(CCCCCCCCCC(C)(C)C)cc1C
InChIInChI=1S/C21H36/c1-18-14-15-20(17-19(18)2)13-11-9-7-6-8-10-12-16-21(3,4)5/h14-15,17H,6-13,16H2,1-5H3
InChIKeyKYZQDKUWBDQOQS-UHFFFAOYSA-N
MW288.52 g/mol
LogP7.01
Rot. Bonds9

About 4-(10,10-dimethylundecyl)-1,2-dimethylbenzene

4-(10,10-dimethylundecyl)-1,2-dimethylbenzene (PubChem CID 150895968) has the molecular formula C21H36 and a molecular weight of 288.52 g/mol. Its IUPAC name is 4-(10,10-dimethylundecyl)-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-(10,10-dimethylundecyl)-1,2-dimethylbenzene
PubChem CID150895968
Molecular FormulaC21H36
Molecular Weight288.52 g/mol
Exact Mass288.28
IUPAC Name4-(10,10-dimethylundecyl)-1,2-dimethylbenzene
SMILESCc1ccc(CCCCCCCCCC(C)(C)C)cc1C
InChIInChI=1S/C21H36/c1-18-14-15-20(17-19(18)2)13-11-9-7-6-8-10-12-16-21(3,4)5/h14-15,17H,6-13,16H2,1-5H3
InChIKeyKYZQDKUWBDQOQS-UHFFFAOYSA-N
XLogP7.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.52
LogP ≤ 57.01
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

1,4-bis(10,10-dimethylundecyl)benzene
CID 151982772
1,2-dimethyl-4-octylbenzene
CID 14044616
4-(7,7-dimethyloctyl)-2-methyl-1-[4-(1-methylcyclopropyl)butyl]benzene
CID 174103795
1,2-dimethyl-4-(6-phenylhexyl)benzene
CID 123294821
[6-[5-(7,7-dimethyloctyl)-2-methylphenyl]-2-methylhexan-2-yl] formate
CID 157342637
4-(3,4-dimethylphenyl)butan-1-amine
CID 19797655
27,27-dimethyloctacosylbenzene
CID 140589361
[1-[4-[3-(6,6-dimethylheptyl)-4-methylphenyl]butyl]cyclopropyl] formate
CID 160681983
6-(3,4-dimethylphenyl)-N-propan-2-ylhexan-1-amine
CID 65308314
4-(5,5-dimethylhexyl)-2-(6,6-dimethyloctyl)phenol
CID 170105299
4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane
CID 157353786
4-(3,4-dimethylphenyl)butyl 2,2-dimethylpropanoate
CID 142678963

Frequently Asked Questions

What is the IUPAC name of 4-(10,10-dimethylundecyl)-1,2-dimethylbenzene?
The IUPAC name of 4-(10,10-dimethylundecyl)-1,2-dimethylbenzene (CID 150895968) is 4-(10,10-dimethylundecyl)-1,2-dimethylbenzene.
What is the SMILES notation for 4-(10,10-dimethylundecyl)-1,2-dimethylbenzene?
The canonical SMILES for 4-(10,10-dimethylundecyl)-1,2-dimethylbenzene is Cc1ccc(CCCCCCCCCC(C)(C)C)cc1C.
What is the InChIKey of 4-(10,10-dimethylundecyl)-1,2-dimethylbenzene?
The InChIKey is KYZQDKUWBDQOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36/c1-18-14-15-20(17-19(18)2)13-11-9-7-6-8-10-12-16-21(3,4)5/h14-15,17H,6-13,16H2,1-5H3.
What are the key properties of 4-(10,10-dimethylundecyl)-1,2-dimethylbenzene?
4-(10,10-dimethylundecyl)-1,2-dimethylbenzene has a molecular weight of 288.52 g/mol, XLogP of 7.01, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10,10-dimethylundecyl)-1,2-dimethylbenzene is sourced from PubChem (CID 150895968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).