(1-methylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanoate

C16H30O2 — CID 144560389

IUPAC(1-methylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanoate
SMILESCCC(C)(CC(C)(C)C)C(=O)OC1(C)CCCC1
InChIInChI=1S/C16H30O2/c1-7-15(5,12-14(2,3)4)13(17)18-16(6)10-8-9-11-16/h7-12H2,1-6H3
InChIKeyZHEWAAMNKIUWJB-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.71
Rot. Bonds4

About (1-methylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanoate

(1-methylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanoate (PubChem CID 144560389) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is (1-methylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanoate.

Molecular Properties

Compound Name(1-methylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanoate
PubChem CID144560389
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name(1-methylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanoate
SMILESCCC(C)(CC(C)(C)C)C(=O)OC1(C)CCCC1
InChIInChI=1S/C16H30O2/c1-7-15(5,12-14(2,3)4)13(17)18-16(6)10-8-9-11-16/h7-12H2,1-6H3
InChIKeyZHEWAAMNKIUWJB-UHFFFAOYSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methylcyclohexyl) 2-methyl-2-(sulfanylmethyl)butanoate
CID 174355146
ethane;(1-methylcyclopentyl) 2,2,4,4-tetramethylpentanoate
CID 144560123
(1-methylcyclohexyl) 2,4,4-trimethyl-2-methylphosphanylpentanoate
CID 166970108
(8-methylspiro[4.5]decan-8-yl) 2,2-dimethylbutanoate
CID 59602243
[3-(1-methylcyclohexyl)oxy-3-oxopropyl] 2-tert-butyl-2,4,4-trimethylpentanoate
CID 70888829
(1-ethylcycloheptyl) 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane;(1-methylcyclodecyl) 2,2-dimethylbutanoate;(1-methylcyclododecyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate
CID 162117868
pentadecakis(1-ethylcyclopentyl) 1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-hexadecamethylhentriacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecacarboxylate
CID 88551593
(1-methylcyclopentyl) 2-(2-aminoaziridin-2-yl)-2-methylbutanoate
CID 163897971
(1-methylcyclopentyl) 2,2,4-trimethylpentanoate
CID 148692117
tris(1-methylcyclohexyl) 2-hydroxypropane-1,2,3-tricarboxylate
CID 154107750
(4-methyl-1,1-dioxothian-4-yl) 2,2-dimethylbutanoate
CID 165070592
methane;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate
CID 161322097

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanoate?
The IUPAC name of (1-methylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanoate (CID 144560389) is (1-methylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanoate.
What is the SMILES notation for (1-methylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanoate?
The canonical SMILES for (1-methylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanoate is CCC(C)(CC(C)(C)C)C(=O)OC1(C)CCCC1.
What is the InChIKey of (1-methylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanoate?
The InChIKey is ZHEWAAMNKIUWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-7-15(5,12-14(2,3)4)13(17)18-16(6)10-8-9-11-16/h7-12H2,1-6H3.
What are the key properties of (1-methylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanoate?
(1-methylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanoate has a molecular weight of 254.41 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanoate is sourced from PubChem (CID 144560389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).