2-[(Z)-1-bromooct-1-en-2-yl]-5-phenyltetrazole

C15H19BrN4 — CID 122391884

IUPAC2-[(Z)-1-bromooct-1-en-2-yl]-5-phenyltetrazole
SMILESCCCCCC/C(=C/Br)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C15H19BrN4/c1-2-3-4-8-11-14(12-16)20-18-15(17-19-20)13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3/b14-12-
InChIKeySZTPWLJLAJFWDG-OWBHPGMISA-N
MW335.25 g/mol
LogP4.50
Rot. Bonds7

About 2-[(Z)-1-bromooct-1-en-2-yl]-5-phenyltetrazole

2-[(Z)-1-bromooct-1-en-2-yl]-5-phenyltetrazole (PubChem CID 122391884) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 2-[(Z)-1-bromooct-1-en-2-yl]-5-phenyltetrazole.

Molecular Properties

Compound Name2-[(Z)-1-bromooct-1-en-2-yl]-5-phenyltetrazole
PubChem CID122391884
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name2-[(Z)-1-bromooct-1-en-2-yl]-5-phenyltetrazole
SMILESCCCCCC/C(=C/Br)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C15H19BrN4/c1-2-3-4-8-11-14(12-16)20-18-15(17-19-20)13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3/b14-12-
InChIKeySZTPWLJLAJFWDG-OWBHPGMISA-N
XLogP4.50
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-phenyl-2-prop-1-en-2-yltetrazole
CID 15323453
2-ethyl-4-(5-phenyltetrazol-2-yl)but-2-enoic acid
CID 77100726
1,1'-biphenyl;heptadecan-9-one
CID 19613965
(3S)-3-(5-phenyltetrazol-2-yl)heptan-1-ol
CID 102325180
1,1'-biphenyl;hexadecane
CID 173308514
[(Z)-1-methylsulfanylhept-1-en-2-yl]benzene
CID 11672996
5-fluoro-1-heptyl-3-phenyl-1,2,4-triazole
CID 175254788
methyl 2-ethyl-4-(5-phenyltetrazol-2-yl)but-2-enoate
CID 77100727
N-[(Z)-(4-hexoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7929860
8-phenyltetradec-7-en-7-ylbenzene
CID 141438246
2-(1-butoxybutyl)-5-phenyltetrazole
CID 132568651
4-hexoxy-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide
CID 9468307

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-bromooct-1-en-2-yl]-5-phenyltetrazole?
The IUPAC name of 2-[(Z)-1-bromooct-1-en-2-yl]-5-phenyltetrazole (CID 122391884) is 2-[(Z)-1-bromooct-1-en-2-yl]-5-phenyltetrazole.
What is the SMILES notation for 2-[(Z)-1-bromooct-1-en-2-yl]-5-phenyltetrazole?
The canonical SMILES for 2-[(Z)-1-bromooct-1-en-2-yl]-5-phenyltetrazole is CCCCCC/C(=C/Br)n1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-[(Z)-1-bromooct-1-en-2-yl]-5-phenyltetrazole?
The InChIKey is SZTPWLJLAJFWDG-OWBHPGMISA-N. The full InChI is InChI=1S/C15H19BrN4/c1-2-3-4-8-11-14(12-16)20-18-15(17-19-20)13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3/b14-12-.
What are the key properties of 2-[(Z)-1-bromooct-1-en-2-yl]-5-phenyltetrazole?
2-[(Z)-1-bromooct-1-en-2-yl]-5-phenyltetrazole has a molecular weight of 335.25 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-bromooct-1-en-2-yl]-5-phenyltetrazole is sourced from PubChem (CID 122391884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).