2-benzyltetradecylbenzene

C27H40 — CID 22920205

IUPAC2-benzyltetradecylbenzene
SMILESCCCCCCCCCCCCC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H40/c1-2-3-4-5-6-7-8-9-10-13-22-27(23-25-18-14-11-15-19-25)24-26-20-16-12-17-21-26/h11-12,14-21,27H,2-10,13,22-24H2,1H3
InChIKeyCYFPCXQCVWJDSW-UHFFFAOYSA-N
MW364.62 g/mol
LogP8.40
Rot. Bonds15

About 2-benzyltetradecylbenzene

2-benzyltetradecylbenzene (PubChem CID 22920205) has the molecular formula C27H40 and a molecular weight of 364.62 g/mol. Its IUPAC name is 2-benzyltetradecylbenzene.

Molecular Properties

Compound Name2-benzyltetradecylbenzene
PubChem CID22920205
Molecular FormulaC27H40
Molecular Weight364.62 g/mol
Exact Mass364.31
IUPAC Name2-benzyltetradecylbenzene
SMILESCCCCCCCCCCCCC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H40/c1-2-3-4-5-6-7-8-9-10-13-22-27(23-25-18-14-11-15-19-25)24-26-20-16-12-17-21-26/h11-12,14-21,27H,2-10,13,22-24H2,1H3
InChIKeyCYFPCXQCVWJDSW-UHFFFAOYSA-N
XLogP8.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.62
LogP ≤ 58.40
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

2-benzyloctadecan-1-ol
CID 67814123
3-benzylpentadecan-1-ol
CID 174933241
3-benzylheptadecan-1-ol
CID 70425860
2-benzyl-N-methyldecan-1-amine
CID 63498488
2-benzyl-N,N-dimethyloctadecan-1-amine
CID 67604141
6-benzyldecylbenzene
CID 54156815
7-octadecyl-1-phenylpentacosan-2-ol
CID 162497246
2-benzyloctoxymethylbenzene
CID 134979791
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
2-benzyl-N-propylheptan-1-amine
CID 63496184
(3S)-3-benzyl-1-phenylnonan-1-one
CID 101258041
hydrogen peroxide;2-methyldodecylbenzene
CID 159185106

Frequently Asked Questions

What is the IUPAC name of 2-benzyltetradecylbenzene?
The IUPAC name of 2-benzyltetradecylbenzene (CID 22920205) is 2-benzyltetradecylbenzene.
What is the SMILES notation for 2-benzyltetradecylbenzene?
The canonical SMILES for 2-benzyltetradecylbenzene is CCCCCCCCCCCCC(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-benzyltetradecylbenzene?
The InChIKey is CYFPCXQCVWJDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40/c1-2-3-4-5-6-7-8-9-10-13-22-27(23-25-18-14-11-15-19-25)24-26-20-16-12-17-21-26/h11-12,14-21,27H,2-10,13,22-24H2,1H3.
What are the key properties of 2-benzyltetradecylbenzene?
2-benzyltetradecylbenzene has a molecular weight of 364.62 g/mol, XLogP of 8.40, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyltetradecylbenzene is sourced from PubChem (CID 22920205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).