1,2-dimethyl-4-(4-methylidenedodecyl)benzene

C21H34 — CID 123685669

IUPAC1,2-dimethyl-4-(4-methylidenedodecyl)benzene
SMILESC=C(CCCCCCCC)CCCc1ccc(C)c(C)c1
InChIInChI=1S/C21H34/c1-5-6-7-8-9-10-12-18(2)13-11-14-21-16-15-19(3)20(4)17-21/h15-17H,2,5-14H2,1,3-4H3
InChIKeyYOWQHEUZNVXHCQ-UHFFFAOYSA-N
MW286.50 g/mol
LogP6.93
Rot. Bonds11

About 1,2-dimethyl-4-(4-methylidenedodecyl)benzene

1,2-dimethyl-4-(4-methylidenedodecyl)benzene (PubChem CID 123685669) has the molecular formula C21H34 and a molecular weight of 286.50 g/mol. Its IUPAC name is 1,2-dimethyl-4-(4-methylidenedodecyl)benzene.

Molecular Properties

Compound Name1,2-dimethyl-4-(4-methylidenedodecyl)benzene
PubChem CID123685669
Molecular FormulaC21H34
Molecular Weight286.50 g/mol
Exact Mass286.27
IUPAC Name1,2-dimethyl-4-(4-methylidenedodecyl)benzene
SMILESC=C(CCCCCCCC)CCCc1ccc(C)c(C)c1
InChIInChI=1S/C21H34/c1-5-6-7-8-9-10-12-18(2)13-11-14-21-16-15-19(3)20(4)17-21/h15-17H,2,5-14H2,1,3-4H3
InChIKeyYOWQHEUZNVXHCQ-UHFFFAOYSA-N
XLogP6.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethyl-4-octylbenzene
CID 14044616
ethane;2-methyl-4-(6-methylhept-6-enyl)-1-octylbenzene
CID 142267466
1-[5-(3,4-dimethylphenyl)pent-1-en-2-yl]-4-hept-1-en-2-yl-2-methylbenzene
CID 91498311
2-methyl-4-octadecylphenol
CID 3022311
4-ethyl-2-methyl-1-(8-methylnon-8-enyl)benzene
CID 174085022
1-methyl-3-(6-methylidenenonyl)benzene
CID 143689147
N-[3-(3,4-dimethylphenyl)prop-1-en-2-yl]hexan-1-amine
CID 169229380
6-methylidenedodecane
CID 21453027
6-methylidenetetradecane
CID 21477883
CID 175900742
CID 175900742
1-(3,4-dimethylphenyl)heptan-4-amine
CID 64503666
19-methylideneheptatriacontane;titanium
CID 174477367

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(4-methylidenedodecyl)benzene?
The IUPAC name of 1,2-dimethyl-4-(4-methylidenedodecyl)benzene (CID 123685669) is 1,2-dimethyl-4-(4-methylidenedodecyl)benzene.
What is the SMILES notation for 1,2-dimethyl-4-(4-methylidenedodecyl)benzene?
The canonical SMILES for 1,2-dimethyl-4-(4-methylidenedodecyl)benzene is C=C(CCCCCCCC)CCCc1ccc(C)c(C)c1.
What is the InChIKey of 1,2-dimethyl-4-(4-methylidenedodecyl)benzene?
The InChIKey is YOWQHEUZNVXHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34/c1-5-6-7-8-9-10-12-18(2)13-11-14-21-16-15-19(3)20(4)17-21/h15-17H,2,5-14H2,1,3-4H3.
What are the key properties of 1,2-dimethyl-4-(4-methylidenedodecyl)benzene?
1,2-dimethyl-4-(4-methylidenedodecyl)benzene has a molecular weight of 286.50 g/mol, XLogP of 6.93, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(4-methylidenedodecyl)benzene is sourced from PubChem (CID 123685669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).