2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole;propane

C17H27N3O2 — CID 145438770

IUPAC2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole;propane
SMILESCCC.COC=C(C)OCCn1nc2c(C)ccc(C)c2n1
InChIInChI=1S/C14H19N3O2.C3H8/c1-10-5-6-11(2)14-13(10)15-17(16-14)7-8-19-12(3)9-18-4;1-3-2/h5-6,9H,7-8H2,1-4H3;3H2,1-2H3
InChIKeyLBIBQWDAOHSQJN-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.99
Rot. Bonds5

About 2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole;propane

2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole;propane (PubChem CID 145438770) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole;propane.

Molecular Properties

Compound Name2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole;propane
PubChem CID145438770
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole;propane
SMILESCCC.COC=C(C)OCCn1nc2c(C)ccc(C)c2n1
InChIInChI=1S/C14H19N3O2.C3H8/c1-10-5-6-11(2)14-13(10)15-17(16-14)7-8-19-12(3)9-18-4;1-3-2/h5-6,9H,7-8H2,1-4H3;3H2,1-2H3
InChIKeyLBIBQWDAOHSQJN-UHFFFAOYSA-N
XLogP3.99
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole;propane?
The IUPAC name of 2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole;propane (CID 145438770) is 2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole;propane.
What is the SMILES notation for 2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole;propane?
The canonical SMILES for 2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole;propane is CCC.COC=C(C)OCCn1nc2c(C)ccc(C)c2n1.
What is the InChIKey of 2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole;propane?
The InChIKey is LBIBQWDAOHSQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.C3H8/c1-10-5-6-11(2)14-13(10)15-17(16-14)7-8-19-12(3)9-18-4;1-3-2/h5-6,9H,7-8H2,1-4H3;3H2,1-2H3.
What are the key properties of 2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole;propane?
2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole;propane has a molecular weight of 305.42 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methoxyprop-1-en-2-yloxy)ethyl]-4,7-dimethylbenzotriazole;propane is sourced from PubChem (CID 145438770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).