ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methyltriazole

C14H29N3O4 — CID 156729649

IUPACethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methyltriazole
SMILESCC.COCCOCCOCCOCCn1cc(C)nn1
InChIInChI=1S/C12H23N3O4.C2H6/c1-12-11-15(14-13-12)3-4-17-7-8-19-10-9-18-6-5-16-2;1-2/h11H,3-10H2,1-2H3;1-2H3
InChIKeyVDYCNNBXQNXHSH-UHFFFAOYSA-N
MW303.40 g/mol
LogP1.31
Rot. Bonds12

About ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methyltriazole

ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methyltriazole (PubChem CID 156729649) has the molecular formula C14H29N3O4 and a molecular weight of 303.40 g/mol. Its IUPAC name is ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methyltriazole.

Molecular Properties

Compound Nameethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methyltriazole
PubChem CID156729649
Molecular FormulaC14H29N3O4
Molecular Weight303.40 g/mol
Exact Mass303.22
IUPAC Nameethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methyltriazole
SMILESCC.COCCOCCOCCOCCn1cc(C)nn1
InChIInChI=1S/C12H23N3O4.C2H6/c1-12-11-15(14-13-12)3-4-17-7-8-19-10-9-18-6-5-16-2;1-2/h11H,3-10H2,1-2H3;1-2H3
InChIKeyVDYCNNBXQNXHSH-UHFFFAOYSA-N
XLogP1.31
TPSA67.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methyltriazole?
The IUPAC name of ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methyltriazole (CID 156729649) is ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methyltriazole.
What is the SMILES notation for ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methyltriazole?
The canonical SMILES for ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methyltriazole is CC.COCCOCCOCCOCCn1cc(C)nn1.
What is the InChIKey of ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methyltriazole?
The InChIKey is VDYCNNBXQNXHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4.C2H6/c1-12-11-15(14-13-12)3-4-17-7-8-19-10-9-18-6-5-16-2;1-2/h11H,3-10H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methyltriazole?
ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methyltriazole has a molecular weight of 303.40 g/mol, XLogP of 1.31, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methyltriazole is sourced from PubChem (CID 156729649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).