(1-ethylcyclohexyl) 2-ethyl-2-methylbutanoate

C15H28O2 — CID 23562005

IUPAC(1-ethylcyclohexyl) 2-ethyl-2-methylbutanoate
SMILESCCC1(OC(=O)C(C)(CC)CC)CCCCC1
InChIInChI=1S/C15H28O2/c1-5-14(4,6-2)13(16)17-15(7-3)11-9-8-10-12-15/h5-12H2,1-4H3
InChIKeyUVTLEKWWENQZPP-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.47
Rot. Bonds5

About (1-ethylcyclohexyl) 2-ethyl-2-methylbutanoate

(1-ethylcyclohexyl) 2-ethyl-2-methylbutanoate (PubChem CID 23562005) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (1-ethylcyclohexyl) 2-ethyl-2-methylbutanoate.

Molecular Properties

Compound Name(1-ethylcyclohexyl) 2-ethyl-2-methylbutanoate
PubChem CID23562005
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(1-ethylcyclohexyl) 2-ethyl-2-methylbutanoate
SMILESCCC1(OC(=O)C(C)(CC)CC)CCCCC1
InChIInChI=1S/C15H28O2/c1-5-14(4,6-2)13(16)17-15(7-3)11-9-8-10-12-15/h5-12H2,1-4H3
InChIKeyUVTLEKWWENQZPP-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclohexyl) 2-ethyl-2-methylbutanoate?
The IUPAC name of (1-ethylcyclohexyl) 2-ethyl-2-methylbutanoate (CID 23562005) is (1-ethylcyclohexyl) 2-ethyl-2-methylbutanoate.
What is the SMILES notation for (1-ethylcyclohexyl) 2-ethyl-2-methylbutanoate?
The canonical SMILES for (1-ethylcyclohexyl) 2-ethyl-2-methylbutanoate is CCC1(OC(=O)C(C)(CC)CC)CCCCC1.
What is the InChIKey of (1-ethylcyclohexyl) 2-ethyl-2-methylbutanoate?
The InChIKey is UVTLEKWWENQZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-5-14(4,6-2)13(16)17-15(7-3)11-9-8-10-12-15/h5-12H2,1-4H3.
What are the key properties of (1-ethylcyclohexyl) 2-ethyl-2-methylbutanoate?
(1-ethylcyclohexyl) 2-ethyl-2-methylbutanoate has a molecular weight of 240.39 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclohexyl) 2-ethyl-2-methylbutanoate is sourced from PubChem (CID 23562005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).