[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] 2-methylprop-2-enoate

C17H32O3Si — CID 89027286

IUPAC[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(CCO[Si](C)(C)C(C)(C)C)CCCC1
InChIInChI=1S/C17H32O3Si/c1-14(2)15(18)20-17(10-8-9-11-17)12-13-19-21(6,7)16(3,4)5/h1,8-13H2,2-7H3
InChIKeyWEIGSHWYJKSVIR-UHFFFAOYSA-N
MW312.53 g/mol
LogP4.83
Rot. Bonds6

About [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] 2-methylprop-2-enoate

[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] 2-methylprop-2-enoate (PubChem CID 89027286) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] 2-methylprop-2-enoate
PubChem CID89027286
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Name[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(CCO[Si](C)(C)C(C)(C)C)CCCC1
InChIInChI=1S/C17H32O3Si/c1-14(2)15(18)20-17(10-8-9-11-17)12-13-19-21(6,7)16(3,4)5/h1,8-13H2,2-7H3
InChIKeyWEIGSHWYJKSVIR-UHFFFAOYSA-N
XLogP4.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[1-(3,3,4,4,4-pentafluorobutyl)cyclopentyl] 2-methylprop-2-enoate
CID 90250893
[1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclopentyl] 2-methylprop-2-enoate
CID 58999843
[1-(6-methylheptyl)cyclooctyl] 2-methylprop-2-enoate
CID 140866507
tert-butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxypiperidine-1-carboxylate;methane;2-(1-methoxycyclohexyl)ethanol
CID 158161836
[1-(2,2,3,3,4,4,4-heptafluorobutyl)cyclopentyl] 2-methylprop-2-enoate
CID 130411163
[1-(2-methylbutan-2-yl)cyclohexyl] 2-methylprop-2-enoate
CID 139892323
[1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate
CID 140677617
(E)-5-[tert-butyl(dimethyl)silyl]oxy-1-(1-hydroxycyclohexyl)pent-2-en-1-one
CID 101268207
5-[tert-butyl(dimethyl)silyl]oxypentane-2,3-dione
CID 59850474
3-O-[2-[tert-butyl(dimethyl)silyl]oxyethyl] 1-O-(2-methoxyethyl) propanedioate
CID 59364516
(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclohexyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate;(1-propylcyclohexyl) 2-methylprop-2-enoate;(1-propylcyclopentyl) 2-methylprop-2-enoate
CID 161185628
[2,2-difluoro-1-(3-methoxypropoxy)-1-oxopentan-3-yl] 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;3-methoxypropyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate;1,1,1-trifluoropropan-2-yl 2-methylprop-2-enoate
CID 159873757

Frequently Asked Questions

What is the IUPAC name of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] 2-methylprop-2-enoate?
The IUPAC name of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] 2-methylprop-2-enoate (CID 89027286) is [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] 2-methylprop-2-enoate?
The canonical SMILES for [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1(CCO[Si](C)(C)C(C)(C)C)CCCC1.
What is the InChIKey of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] 2-methylprop-2-enoate?
The InChIKey is WEIGSHWYJKSVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-14(2)15(18)20-17(10-8-9-11-17)12-13-19-21(6,7)16(3,4)5/h1,8-13H2,2-7H3.
What are the key properties of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] 2-methylprop-2-enoate?
[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] 2-methylprop-2-enoate has a molecular weight of 312.53 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] 2-methylprop-2-enoate is sourced from PubChem (CID 89027286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).