8-phenyltetradec-7-en-7-ylbenzene

C26H36 — CID 141438246

IUPAC8-phenyltetradec-7-en-7-ylbenzene
SMILESCCCCCCC(=C(CCCCCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H36/c1-3-5-7-15-21-25(23-17-11-9-12-18-23)26(22-16-8-6-4-2)24-19-13-10-14-20-24/h9-14,17-20H,3-8,15-16,21-22H2,1-2H3
InChIKeyMYAMSMCNPUQLCI-UHFFFAOYSA-N
MW348.57 g/mol
LogP8.54
Rot. Bonds12

About 8-phenyltetradec-7-en-7-ylbenzene

8-phenyltetradec-7-en-7-ylbenzene (PubChem CID 141438246) has the molecular formula C26H36 and a molecular weight of 348.57 g/mol. Its IUPAC name is 8-phenyltetradec-7-en-7-ylbenzene.

Molecular Properties

Compound Name8-phenyltetradec-7-en-7-ylbenzene
PubChem CID141438246
Molecular FormulaC26H36
Molecular Weight348.57 g/mol
Exact Mass348.28
IUPAC Name8-phenyltetradec-7-en-7-ylbenzene
SMILESCCCCCCC(=C(CCCCCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H36/c1-3-5-7-15-21-25(23-17-11-9-12-18-23)26(22-16-8-6-4-2)24-19-13-10-14-20-24/h9-14,17-20H,3-8,15-16,21-22H2,1-2H3
InChIKeyMYAMSMCNPUQLCI-UHFFFAOYSA-N
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

10-phenyloctadec-9-en-9-amine
CID 140615449
1,1-difluorohept-1-en-2-ylbenzene
CID 10954812
2-(1-phenylheptylidene)propanedioic acid
CID 90121852
[(E)-4-fluorotetradec-3-en-3-yl]benzene
CID 102385844
1-[4-(7-phenyldodec-6-en-6-yl)phenyl]prop-2-en-1-one
CID 54435609
2-methoxy-3-phenylundec-2-enoic acid
CID 54315676
1-phenylheptadecan-1-one
CID 577626
(NE)-N-(1-phenyltetradecylidene)hydroxylamine
CID 6283340
(NE)-N-(1-phenyldodecylidene)hydroxylamine
CID 6013511
2-(1-phenylpentylidene)propanedinitrile
CID 3597720
(NZ)-N-(1-phenyloctylidene)hydroxylamine
CID 5372164
dodecyl 1,2-diphenyltetradec-1-ene-1-sulfonate
CID 175385369

Frequently Asked Questions

What is the IUPAC name of 8-phenyltetradec-7-en-7-ylbenzene?
The IUPAC name of 8-phenyltetradec-7-en-7-ylbenzene (CID 141438246) is 8-phenyltetradec-7-en-7-ylbenzene.
What is the SMILES notation for 8-phenyltetradec-7-en-7-ylbenzene?
The canonical SMILES for 8-phenyltetradec-7-en-7-ylbenzene is CCCCCCC(=C(CCCCCC)c1ccccc1)c1ccccc1.
What is the InChIKey of 8-phenyltetradec-7-en-7-ylbenzene?
The InChIKey is MYAMSMCNPUQLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36/c1-3-5-7-15-21-25(23-17-11-9-12-18-23)26(22-16-8-6-4-2)24-19-13-10-14-20-24/h9-14,17-20H,3-8,15-16,21-22H2,1-2H3.
What are the key properties of 8-phenyltetradec-7-en-7-ylbenzene?
8-phenyltetradec-7-en-7-ylbenzene has a molecular weight of 348.57 g/mol, XLogP of 8.54, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyltetradec-7-en-7-ylbenzene is sourced from PubChem (CID 141438246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).