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

C11H18N4O2 — CID 79318019

IUPACethyl 1-(4-methylcyclohexyl)tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1C1CCC(C)CC1
InChIInChI=1S/C11H18N4O2/c1-3-17-11(16)10-12-13-14-15(10)9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3
InChIKeySWZTXNWTMGXDPG-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.60
Rot. Bonds3

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

ethyl 1-(4-methylcyclohexyl)tetrazole-5-carboxylate (PubChem CID 79318019) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is ethyl 1-(4-methylcyclohexyl)tetrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methylcyclohexyl)tetrazole-5-carboxylate
PubChem CID79318019
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Nameethyl 1-(4-methylcyclohexyl)tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1C1CCC(C)CC1
InChIInChI=1S/C11H18N4O2/c1-3-17-11(16)10-12-13-14-15(10)9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3
InChIKeySWZTXNWTMGXDPG-UHFFFAOYSA-N
XLogP1.60
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methylcyclohexyl)tetrazole-5-carboxylate?
The IUPAC name of ethyl 1-(4-methylcyclohexyl)tetrazole-5-carboxylate (CID 79318019) is ethyl 1-(4-methylcyclohexyl)tetrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-(4-methylcyclohexyl)tetrazole-5-carboxylate?
The canonical SMILES for ethyl 1-(4-methylcyclohexyl)tetrazole-5-carboxylate is CCOC(=O)c1nnnn1C1CCC(C)CC1.
What is the InChIKey of ethyl 1-(4-methylcyclohexyl)tetrazole-5-carboxylate?
The InChIKey is SWZTXNWTMGXDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-17-11(16)10-12-13-14-15(10)9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of ethyl 1-(4-methylcyclohexyl)tetrazole-5-carboxylate?
ethyl 1-(4-methylcyclohexyl)tetrazole-5-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methylcyclohexyl)tetrazole-5-carboxylate is sourced from PubChem (CID 79318019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).