ethyl 2-(4-decyl-5H-tetrazol-1-yl)acetate

C15H30N4O2 — CID 54377725

IUPACethyl 2-(4-decyl-5H-tetrazol-1-yl)acetate
SMILESCCCCCCCCCCN1CN(CC(=O)OCC)N=N1
InChIInChI=1S/C15H30N4O2/c1-3-5-6-7-8-9-10-11-12-18-14-19(17-16-18)13-15(20)21-4-2/h3-14H2,1-2H3
InChIKeyUXSVBCHLRCDPHT-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.55
Rot. Bonds12

About ethyl 2-(4-decyl-5H-tetrazol-1-yl)acetate

ethyl 2-(4-decyl-5H-tetrazol-1-yl)acetate (PubChem CID 54377725) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is ethyl 2-(4-decyl-5H-tetrazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-decyl-5H-tetrazol-1-yl)acetate
PubChem CID54377725
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Nameethyl 2-(4-decyl-5H-tetrazol-1-yl)acetate
SMILESCCCCCCCCCCN1CN(CC(=O)OCC)N=N1
InChIInChI=1S/C15H30N4O2/c1-3-5-6-7-8-9-10-11-12-18-14-19(17-16-18)13-15(20)21-4-2/h3-14H2,1-2H3
InChIKeyUXSVBCHLRCDPHT-UHFFFAOYSA-N
XLogP3.55
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 2-(4-decyl-5H-tetrazol-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(4-butylpiperazin-1-yl)acetate;dihydrochloride
CID 134088083
ethyl tetradecanoate
CID 89052756
CID 87572227
CID 87572227
pentakis(ethyl octanoate);hexane
CID 173194775
ethyl undecanoate
CID 12327
ethyl 2-(3-pentyl-2H-benzimidazol-1-yl)acetate
CID 21322159
ethyl decanoate;methanol
CID 161391102
ethyl 3-hydroxypropanoate;heptane
CID 18415145
sodium;ethyl 2-[4,7,10-tris(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;iodide
CID 23722784
sodium;ethyl octadecanoate;hydride
CID 174731148
ethyl hexanoate;tungsten
CID 175314088
ethyl hexanoate;gadolinium
CID 174444534

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-decyl-5H-tetrazol-1-yl)acetate?
The IUPAC name of ethyl 2-(4-decyl-5H-tetrazol-1-yl)acetate (CID 54377725) is ethyl 2-(4-decyl-5H-tetrazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-decyl-5H-tetrazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-decyl-5H-tetrazol-1-yl)acetate is CCCCCCCCCCN1CN(CC(=O)OCC)N=N1.
What is the InChIKey of ethyl 2-(4-decyl-5H-tetrazol-1-yl)acetate?
The InChIKey is UXSVBCHLRCDPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-3-5-6-7-8-9-10-11-12-18-14-19(17-16-18)13-15(20)21-4-2/h3-14H2,1-2H3.
What are the key properties of ethyl 2-(4-decyl-5H-tetrazol-1-yl)acetate?
ethyl 2-(4-decyl-5H-tetrazol-1-yl)acetate has a molecular weight of 298.43 g/mol, XLogP of 3.55, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-decyl-5H-tetrazol-1-yl)acetate is sourced from PubChem (CID 54377725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).