(1-ethylcyclopentyl) 2-methyl-2-(trimethylsilylmethyl)butanoate

C16H32O2Si — CID 58820878

IUPAC(1-ethylcyclopentyl) 2-methyl-2-(trimethylsilylmethyl)butanoate
SMILESCCC1(OC(=O)C(C)(CC)C[Si](C)(C)C)CCCC1
InChIInChI=1S/C16H32O2Si/c1-7-15(3,13-19(4,5)6)14(17)18-16(8-2)11-9-10-12-16/h7-13H2,1-6H3
InChIKeyDENCYNOSCKZWRX-UHFFFAOYSA-N
MW284.52 g/mol
LogP5.01
Rot. Bonds6

About (1-ethylcyclopentyl) 2-methyl-2-(trimethylsilylmethyl)butanoate

(1-ethylcyclopentyl) 2-methyl-2-(trimethylsilylmethyl)butanoate (PubChem CID 58820878) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (1-ethylcyclopentyl) 2-methyl-2-(trimethylsilylmethyl)butanoate.

Molecular Properties

Compound Name(1-ethylcyclopentyl) 2-methyl-2-(trimethylsilylmethyl)butanoate
PubChem CID58820878
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(1-ethylcyclopentyl) 2-methyl-2-(trimethylsilylmethyl)butanoate
SMILESCCC1(OC(=O)C(C)(CC)C[Si](C)(C)C)CCCC1
InChIInChI=1S/C16H32O2Si/c1-7-15(3,13-19(4,5)6)14(17)18-16(8-2)11-9-10-12-16/h7-13H2,1-6H3
InChIKeyDENCYNOSCKZWRX-UHFFFAOYSA-N
XLogP5.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.52
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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
4-O-(2,2-difluoropropyl) 1-O-(1-ethylcyclopentyl) 2-ethyl-2-methylbutanedioate
CID 70934689
(1-ethylcyclohexyl) 3-ethyl-2,2,3-trimethylpentanoate
CID 123431668
(1-ethylcyclopentyl) 2,2,3-trimethylbutanoate
CID 123394961
(1-ethylcyclooctyl) 2-tert-butyl-2,4,4-trimethylpentanoate
CID 70989498
1-O-(1-ethylcyclooctyl) 5-O-(1,1,1-trifluoropropan-2-yl) 4-ethyl-2,2,4-trimethylpentanedioate
CID 59002497
(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
2-(1-ethylcyclopentyl)oxy-1,1-difluoro-2-oxoethanesulfonic acid
CID 170287788
(1-ethylcyclopentyl) 2-methyl-2-propan-2-ylpentanoate
CID 70649113
(1-ethylcyclopentyl) 2,4,4-trimethyl-2-prop-1-en-2-ylpentanoate
CID 91497135
[1-(1-ethylcyclopentyl)oxy-2-methyl-1-oxopropan-2-yl] 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate
CID 130305187
1-(3,3-dimethylpent-1-en-2-yloxy)-1-ethylcyclopentane
CID 66804245

Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl) 2-methyl-2-(trimethylsilylmethyl)butanoate?
The IUPAC name of (1-ethylcyclopentyl) 2-methyl-2-(trimethylsilylmethyl)butanoate (CID 58820878) is (1-ethylcyclopentyl) 2-methyl-2-(trimethylsilylmethyl)butanoate.
What is the SMILES notation for (1-ethylcyclopentyl) 2-methyl-2-(trimethylsilylmethyl)butanoate?
The canonical SMILES for (1-ethylcyclopentyl) 2-methyl-2-(trimethylsilylmethyl)butanoate is CCC1(OC(=O)C(C)(CC)C[Si](C)(C)C)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl) 2-methyl-2-(trimethylsilylmethyl)butanoate?
The InChIKey is DENCYNOSCKZWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-7-15(3,13-19(4,5)6)14(17)18-16(8-2)11-9-10-12-16/h7-13H2,1-6H3.
What are the key properties of (1-ethylcyclopentyl) 2-methyl-2-(trimethylsilylmethyl)butanoate?
(1-ethylcyclopentyl) 2-methyl-2-(trimethylsilylmethyl)butanoate has a molecular weight of 284.52 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl) 2-methyl-2-(trimethylsilylmethyl)butanoate is sourced from PubChem (CID 58820878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).