1-hex-5-enyl-4-undecyltriazole

C19H35N3 — CID 170718913

IUPAC1-hex-5-enyl-4-undecyltriazole
SMILESC=CCCCCn1cc(CCCCCCCCCCC)nn1
InChIInChI=1S/C19H35N3/c1-3-5-7-9-10-11-12-13-14-16-19-18-22(21-20-19)17-15-8-6-4-2/h4,18H,2-3,5-17H2,1H3
InChIKeyBEXFIEZLCPKHPR-UHFFFAOYSA-N
MW305.51 g/mol
LogP5.71
Rot. Bonds15

About 1-hex-5-enyl-4-undecyltriazole

1-hex-5-enyl-4-undecyltriazole (PubChem CID 170718913) has the molecular formula C19H35N3 and a molecular weight of 305.51 g/mol. Its IUPAC name is 1-hex-5-enyl-4-undecyltriazole.

Molecular Properties

Compound Name1-hex-5-enyl-4-undecyltriazole
PubChem CID170718913
Molecular FormulaC19H35N3
Molecular Weight305.51 g/mol
Exact Mass305.28
IUPAC Name1-hex-5-enyl-4-undecyltriazole
SMILESC=CCCCCn1cc(CCCCCCCCCCC)nn1
InChIInChI=1S/C19H35N3/c1-3-5-7-9-10-11-12-13-14-16-19-18-22(21-20-19)17-15-8-6-4-2/h4,18H,2-3,5-17H2,1H3
InChIKeyBEXFIEZLCPKHPR-UHFFFAOYSA-N
XLogP5.71
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.51
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1,4-dioctyltriazole
CID 22628762
4-heptyl-1-octyltriazole
CID 146568784
4-(1-heptyltriazol-4-yl)butan-1-amine
CID 104539279
4-(1-nonyltriazol-4-yl)butan-1-amine
CID 104539136
N-[2-(4-hept-6-enyltriazol-1-yl)ethyl]-4-pentylbenzamide
CID 71654667
2-(4-heptyltriazol-1-yl)ethanethiol
CID 130281012
2-(1-pentyltriazol-4-yl)ethanamine
CID 116641934
2-[2-[2-[2-(4-hept-6-enyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethanol
CID 139212566
1-heptyl-4-(3-methylbutyl)triazole
CID 68683945
3-(1-dodecyltriazol-4-yl)propanamide
CID 138710438
3-(1-nonyltriazol-4-yl)propanoic acid
CID 107460574
1-dodecyl-4-(2-phenylethyl)triazole
CID 56666794

Frequently Asked Questions

What is the IUPAC name of 1-hex-5-enyl-4-undecyltriazole?
The IUPAC name of 1-hex-5-enyl-4-undecyltriazole (CID 170718913) is 1-hex-5-enyl-4-undecyltriazole.
What is the SMILES notation for 1-hex-5-enyl-4-undecyltriazole?
The canonical SMILES for 1-hex-5-enyl-4-undecyltriazole is C=CCCCCn1cc(CCCCCCCCCCC)nn1.
What is the InChIKey of 1-hex-5-enyl-4-undecyltriazole?
The InChIKey is BEXFIEZLCPKHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3/c1-3-5-7-9-10-11-12-13-14-16-19-18-22(21-20-19)17-15-8-6-4-2/h4,18H,2-3,5-17H2,1H3.
What are the key properties of 1-hex-5-enyl-4-undecyltriazole?
1-hex-5-enyl-4-undecyltriazole has a molecular weight of 305.51 g/mol, XLogP of 5.71, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-5-enyl-4-undecyltriazole is sourced from PubChem (CID 170718913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).