ethyl 1-(4-ethylcyclohexyl)tetrazole-5-carboxylate

C12H20N4O2 — CID 79318241

IUPACethyl 1-(4-ethylcyclohexyl)tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1C1CCC(CC)CC1
InChIInChI=1S/C12H20N4O2/c1-3-9-5-7-10(8-6-9)16-11(13-14-15-16)12(17)18-4-2/h9-10H,3-8H2,1-2H3
InChIKeySVCXOHRZYGPNSP-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.99
Rot. Bonds4

About ethyl 1-(4-ethylcyclohexyl)tetrazole-5-carboxylate

ethyl 1-(4-ethylcyclohexyl)tetrazole-5-carboxylate (PubChem CID 79318241) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is ethyl 1-(4-ethylcyclohexyl)tetrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-ethylcyclohexyl)tetrazole-5-carboxylate
PubChem CID79318241
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Nameethyl 1-(4-ethylcyclohexyl)tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1C1CCC(CC)CC1
InChIInChI=1S/C12H20N4O2/c1-3-9-5-7-10(8-6-9)16-11(13-14-15-16)12(17)18-4-2/h9-10H,3-8H2,1-2H3
InChIKeySVCXOHRZYGPNSP-UHFFFAOYSA-N
XLogP1.99
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(4-methylcyclohexyl)tetrazole-5-carboxylate
CID 79318019
ethyl 1-(2-hydroxycycloheptyl)tetrazole-5-carboxylate
CID 79318330
ethyl 1-(4-ethylcyclohexyl)-5-propan-2-yltriazole-4-carboxylate
CID 103105218
ethyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)tetrazole-5-carboxylate
CID 79907353
ethyl 3-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoate
CID 43242945
ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-oxobutanoate
CID 60693268
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide
CID 30907405
ethyl 2-(1-cyclopentyltetrazol-5-yl)sulfanylbutanoate
CID 60693245
3-[1-(4-ethylcyclohexyl)tetrazol-5-yl]-2-methylaniline
CID 61470054
ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(methylamino)butanoate
CID 63033246
ethyl 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)butanoate
CID 63035201
1-cyclopentyltetrazole-5-carboxylic acid
CID 83875985

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-ethylcyclohexyl)tetrazole-5-carboxylate?
The IUPAC name of ethyl 1-(4-ethylcyclohexyl)tetrazole-5-carboxylate (CID 79318241) is ethyl 1-(4-ethylcyclohexyl)tetrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-(4-ethylcyclohexyl)tetrazole-5-carboxylate?
The canonical SMILES for ethyl 1-(4-ethylcyclohexyl)tetrazole-5-carboxylate is CCOC(=O)c1nnnn1C1CCC(CC)CC1.
What is the InChIKey of ethyl 1-(4-ethylcyclohexyl)tetrazole-5-carboxylate?
The InChIKey is SVCXOHRZYGPNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-9-5-7-10(8-6-9)16-11(13-14-15-16)12(17)18-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of ethyl 1-(4-ethylcyclohexyl)tetrazole-5-carboxylate?
ethyl 1-(4-ethylcyclohexyl)tetrazole-5-carboxylate has a molecular weight of 252.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-ethylcyclohexyl)tetrazole-5-carboxylate is sourced from PubChem (CID 79318241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).