tridec-12-en-2-ylbenzene

C19H30 — CID 140694820

IUPACtridec-12-en-2-ylbenzene
SMILESC=CCCCCCCCCCC(C)c1ccccc1
InChIInChI=1S/C19H30/c1-3-4-5-6-7-8-9-10-12-15-18(2)19-16-13-11-14-17-19/h3,11,13-14,16-18H,1,4-10,12,15H2,2H3
InChIKeyMRMZXKHQKIKVGN-UHFFFAOYSA-N
MW258.45 g/mol
LogP6.49
Rot. Bonds11

About tridec-12-en-2-ylbenzene

tridec-12-en-2-ylbenzene (PubChem CID 140694820) has the molecular formula C19H30 and a molecular weight of 258.45 g/mol. Its IUPAC name is tridec-12-en-2-ylbenzene.

Molecular Properties

Compound Nametridec-12-en-2-ylbenzene
PubChem CID140694820
Molecular FormulaC19H30
Molecular Weight258.45 g/mol
Exact Mass258.23
IUPAC Nametridec-12-en-2-ylbenzene
SMILESC=CCCCCCCCCCC(C)c1ccccc1
InChIInChI=1S/C19H30/c1-3-4-5-6-7-8-9-10-12-15-18(2)19-16-13-11-14-17-19/h3,11,13-14,16-18H,1,4-10,12,15H2,2H3
InChIKeyMRMZXKHQKIKVGN-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 56.49
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

undec-10-en-2-ylbenzene
CID 140694797
2-methyl-1-phenylnon-8-en-1-ol
CID 107010040
tetradec-13-en-7-ylbenzene
CID 140694824
1-oct-7-en-2-yl-4-(trifluoromethyl)benzene
CID 134981740
2-phenyldec-9-en-1-amine
CID 107010668
2,14-diphenylpentadecan-8-ol
CID 71175182
(1-ethyl-9-phenyldecyl)benzene
CID 154659486
6-phenylhexan-2-ylbenzene
CID 19704587
triphenyl(undec-10-enyl)phosphanium
CID 3716115
N-(5-phenylhexyl)hexan-1-imine
CID 91399547
5-chloropentan-2-ylbenzene
CID 524354
tert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane
CID 11988597

Frequently Asked Questions

What is the IUPAC name of tridec-12-en-2-ylbenzene?
The IUPAC name of tridec-12-en-2-ylbenzene (CID 140694820) is tridec-12-en-2-ylbenzene.
What is the SMILES notation for tridec-12-en-2-ylbenzene?
The canonical SMILES for tridec-12-en-2-ylbenzene is C=CCCCCCCCCCC(C)c1ccccc1.
What is the InChIKey of tridec-12-en-2-ylbenzene?
The InChIKey is MRMZXKHQKIKVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30/c1-3-4-5-6-7-8-9-10-12-15-18(2)19-16-13-11-14-17-19/h3,11,13-14,16-18H,1,4-10,12,15H2,2H3.
What are the key properties of tridec-12-en-2-ylbenzene?
tridec-12-en-2-ylbenzene has a molecular weight of 258.45 g/mol, XLogP of 6.49, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tridec-12-en-2-ylbenzene is sourced from PubChem (CID 140694820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).