(3-methyl-1-phenyldodecyl)benzene

C25H36 — CID 91396098

IUPAC(3-methyl-1-phenyldodecyl)benzene
SMILESCCCCCCCCCC(C)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H36/c1-3-4-5-6-7-8-11-16-22(2)21-25(23-17-12-9-13-18-23)24-19-14-10-15-20-24/h9-10,12-15,17-20,22,25H,3-8,11,16,21H2,1-2H3
InChIKeyAJFDYHZGGBYGCJ-UHFFFAOYSA-N
MW336.56 g/mol
LogP7.99
Rot. Bonds12

About (3-methyl-1-phenyldodecyl)benzene

(3-methyl-1-phenyldodecyl)benzene (PubChem CID 91396098) has the molecular formula C25H36 and a molecular weight of 336.56 g/mol. Its IUPAC name is (3-methyl-1-phenyldodecyl)benzene.

Molecular Properties

Compound Name(3-methyl-1-phenyldodecyl)benzene
PubChem CID91396098
Molecular FormulaC25H36
Molecular Weight336.56 g/mol
Exact Mass336.28
IUPAC Name(3-methyl-1-phenyldodecyl)benzene
SMILESCCCCCCCCCC(C)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H36/c1-3-4-5-6-7-8-11-16-22(2)21-25(23-17-12-9-13-18-23)24-19-14-10-15-20-24/h9-10,12-15,17-20,22,25H,3-8,11,16,21H2,1-2H3
InChIKeyAJFDYHZGGBYGCJ-UHFFFAOYSA-N
XLogP7.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 57.99
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

3-methyl-1-phenylundecan-1-amine
CID 174237329
1,1-diphenyltetradecan-3-ol
CID 102298194
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
1-docos-1-ynyl-3-[1-(3-docos-1-ynylphenyl)-3-methylundecyl]benzene
CID 173180854
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
2-(1-phenylnonyl)phenol
CID 67177643
6,8-dimethylhexadecane
CID 91185725
(1R)-1-phenyloctan-1-ol
CID 12794259
hydrogen peroxide;2-methyldodecylbenzene
CID 159185106
1-(1-phenyloctadecoxy)octadecylbenzene
CID 175415236
(1-pentyl-3-phenylheptyl)benzene
CID 154153436

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-phenyldodecyl)benzene?
The IUPAC name of (3-methyl-1-phenyldodecyl)benzene (CID 91396098) is (3-methyl-1-phenyldodecyl)benzene.
What is the SMILES notation for (3-methyl-1-phenyldodecyl)benzene?
The canonical SMILES for (3-methyl-1-phenyldodecyl)benzene is CCCCCCCCCC(C)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of (3-methyl-1-phenyldodecyl)benzene?
The InChIKey is AJFDYHZGGBYGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36/c1-3-4-5-6-7-8-11-16-22(2)21-25(23-17-12-9-13-18-23)24-19-14-10-15-20-24/h9-10,12-15,17-20,22,25H,3-8,11,16,21H2,1-2H3.
What are the key properties of (3-methyl-1-phenyldodecyl)benzene?
(3-methyl-1-phenyldodecyl)benzene has a molecular weight of 336.56 g/mol, XLogP of 7.99, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-phenyldodecyl)benzene is sourced from PubChem (CID 91396098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).