tert-butyl 3-(4-ethylcyclohexyl)propanoate

C15H28O2 — CID 58103664

IUPACtert-butyl 3-(4-ethylcyclohexyl)propanoate
SMILESCCC1CCC(CCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28O2/c1-5-12-6-8-13(9-7-12)10-11-14(16)17-15(2,3)4/h12-13H,5-11H2,1-4H3
InChIKeyGDDWVVWMXDIILD-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.32
Rot. Bonds4

About tert-butyl 3-(4-ethylcyclohexyl)propanoate

tert-butyl 3-(4-ethylcyclohexyl)propanoate (PubChem CID 58103664) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is tert-butyl 3-(4-ethylcyclohexyl)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(4-ethylcyclohexyl)propanoate
PubChem CID58103664
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Nametert-butyl 3-(4-ethylcyclohexyl)propanoate
SMILESCCC1CCC(CCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28O2/c1-5-12-6-8-13(9-7-12)10-11-14(16)17-15(2,3)4/h12-13H,5-11H2,1-4H3
InChIKeyGDDWVVWMXDIILD-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4-[(4-ethylcyclohexyl)amino]-4-oxobutanoate
CID 106707162
tert-butyl 3-(3-methylidenecyclobutyl)propanoate
CID 159592323
propyl 3-(4-ethylcyclohexyl)propanoate
CID 59863738
tert-butyl 3-[(4-propylcyclohexyl)amino]propanoate
CID 113243263
tert-butyl 3-[(3S)-3-(propan-2-ylcarbamoyl)cyclopentyl]propanoate
CID 166872099
tert-butyl 3-[3-(methylaminomethyl)cyclohexyl]propanoate
CID 129273081
tert-butyl carbamate;4-ethylcyclohexan-1-ol
CID 144752449
tert-butyl 22-(4-acetylcyclohexyl)-20-oxodocosanoate
CID 157460111
tert-butyl hydrogen carbonate;ethylcycloheptane
CID 175418399
tert-butyl 3-[2-(4-methylcyclohexyl)ethylamino]propanoate
CID 103252764
tert-butyl 3-[3-(methylcarbamoyl)cyclohexyl]propanoate
CID 129273082
tert-butyl 3-[cyclopropyl(cyclopropylmethyl)amino]propanoate
CID 115609763

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-ethylcyclohexyl)propanoate?
The IUPAC name of tert-butyl 3-(4-ethylcyclohexyl)propanoate (CID 58103664) is tert-butyl 3-(4-ethylcyclohexyl)propanoate.
What is the SMILES notation for tert-butyl 3-(4-ethylcyclohexyl)propanoate?
The canonical SMILES for tert-butyl 3-(4-ethylcyclohexyl)propanoate is CCC1CCC(CCC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 3-(4-ethylcyclohexyl)propanoate?
The InChIKey is GDDWVVWMXDIILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-5-12-6-8-13(9-7-12)10-11-14(16)17-15(2,3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of tert-butyl 3-(4-ethylcyclohexyl)propanoate?
tert-butyl 3-(4-ethylcyclohexyl)propanoate has a molecular weight of 240.39 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-ethylcyclohexyl)propanoate is sourced from PubChem (CID 58103664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).