1-methyl-2-tetradecan-2-ylbenzene

C21H36 — CID 54096578

IUPAC1-methyl-2-tetradecan-2-ylbenzene
SMILESCCCCCCCCCCCCC(C)c1ccccc1C
InChIInChI=1S/C21H36/c1-4-5-6-7-8-9-10-11-12-13-16-19(2)21-18-15-14-17-20(21)3/h14-15,17-19H,4-13,16H2,1-3H3
InChIKeyVXCHYVMPZDQYOM-UHFFFAOYSA-N
MW288.52 g/mol
LogP7.41
Rot. Bonds12

About 1-methyl-2-tetradecan-2-ylbenzene

1-methyl-2-tetradecan-2-ylbenzene (PubChem CID 54096578) has the molecular formula C21H36 and a molecular weight of 288.52 g/mol. Its IUPAC name is 1-methyl-2-tetradecan-2-ylbenzene.

Molecular Properties

Compound Name1-methyl-2-tetradecan-2-ylbenzene
PubChem CID54096578
Molecular FormulaC21H36
Molecular Weight288.52 g/mol
Exact Mass288.28
IUPAC Name1-methyl-2-tetradecan-2-ylbenzene
SMILESCCCCCCCCCCCCC(C)c1ccccc1C
InChIInChI=1S/C21H36/c1-4-5-6-7-8-9-10-11-12-13-16-19(2)21-18-15-14-17-20(21)3/h14-15,17-19H,4-13,16H2,1-3H3
InChIKeyVXCHYVMPZDQYOM-UHFFFAOYSA-N
XLogP7.41
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 ≤ 57.41
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-methyl-2-octan-2-ylbenzene
CID 86190056
1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene
CID 123216377
1-(1-bromononyl)-2-methylbenzene
CID 174984937
1-decan-3-yl-2-methylbenzene
CID 152506171
1-bromo-2-[(2R)-nonan-2-yl]benzene
CID 139715975
1-(2-methylphenyl)nonan-1-amine
CID 63412316
N-butyl-3-(2-methylphenyl)butan-1-amine
CID 13219303
1-(3-iodoundecan-2-yl)-2-methylbenzene
CID 70542707
N-[1-(2-methylphenyl)ethyl]octan-2-amine
CID 43129972
N-[1-(2-methylphenyl)ethyl]nonan-2-amine
CID 43129973
1-bromo-2-heptan-2-ylbenzene
CID 59216916
2-(2-methylphenyl)decan-1-amine
CID 79421405

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-tetradecan-2-ylbenzene?
The IUPAC name of 1-methyl-2-tetradecan-2-ylbenzene (CID 54096578) is 1-methyl-2-tetradecan-2-ylbenzene.
What is the SMILES notation for 1-methyl-2-tetradecan-2-ylbenzene?
The canonical SMILES for 1-methyl-2-tetradecan-2-ylbenzene is CCCCCCCCCCCCC(C)c1ccccc1C.
What is the InChIKey of 1-methyl-2-tetradecan-2-ylbenzene?
The InChIKey is VXCHYVMPZDQYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36/c1-4-5-6-7-8-9-10-11-12-13-16-19(2)21-18-15-14-17-20(21)3/h14-15,17-19H,4-13,16H2,1-3H3.
What are the key properties of 1-methyl-2-tetradecan-2-ylbenzene?
1-methyl-2-tetradecan-2-ylbenzene has a molecular weight of 288.52 g/mol, XLogP of 7.41, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-tetradecan-2-ylbenzene is sourced from PubChem (CID 54096578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).