ethyl 3-(2-methyl-1,1-disilyloxypropan-2-yl)cyclopentane-1-carboxylate

C12H26O4Si2 — CID 175008849

IUPACethyl 3-(2-methyl-1,1-disilyloxypropan-2-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC(C(C)(C)C(O[SiH3])O[SiH3])C1
InChIInChI=1S/C12H26O4Si2/c1-4-14-10(13)8-5-6-9(7-8)12(2,3)11(15-17)16-18/h8-9,11H,4-7H2,1-3,17-18H3
InChIKeyOKKSTCXERVFGKT-UHFFFAOYSA-N
MW290.51 g/mol
LogP-0.09
Rot. Bonds6

About ethyl 3-(2-methyl-1,1-disilyloxypropan-2-yl)cyclopentane-1-carboxylate

ethyl 3-(2-methyl-1,1-disilyloxypropan-2-yl)cyclopentane-1-carboxylate (PubChem CID 175008849) has the molecular formula C12H26O4Si2 and a molecular weight of 290.51 g/mol. Its IUPAC name is ethyl 3-(2-methyl-1,1-disilyloxypropan-2-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-methyl-1,1-disilyloxypropan-2-yl)cyclopentane-1-carboxylate
PubChem CID175008849
Molecular FormulaC12H26O4Si2
Molecular Weight290.51 g/mol
Exact Mass290.14
IUPAC Nameethyl 3-(2-methyl-1,1-disilyloxypropan-2-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC(C(C)(C)C(O[SiH3])O[SiH3])C1
InChIInChI=1S/C12H26O4Si2/c1-4-14-10(13)8-5-6-9(7-8)12(2,3)11(15-17)16-18/h8-9,11H,4-7H2,1-3,17-18H3
InChIKeyOKKSTCXERVFGKT-UHFFFAOYSA-N
XLogP-0.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.51
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
ethyl 3,4-dihydroxycyclohexane-1-carboxylate
CID 134861534
cis-ethyl (1R,3S)-3-formylcyclopentane-1-carboxylate
CID 10583280
ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 141450623
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
trans-ethyl (1S,3S)-3-ethoxycyclopentane-1-carboxylate
CID 125113083
trans-ethyl (1R,3R)-3-ethoxycyclopentane-1-carboxylate
CID 125113084
cis-ethyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate
CID 10607292
ethyl 4-chlorocyclohexane-1-carboxylate
CID 44558677
ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 126501888
6-ethoxycarbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid
CID 163840432
ethyl (1S,3S,6R)-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 57416186

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methyl-1,1-disilyloxypropan-2-yl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 3-(2-methyl-1,1-disilyloxypropan-2-yl)cyclopentane-1-carboxylate (CID 175008849) is ethyl 3-(2-methyl-1,1-disilyloxypropan-2-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 3-(2-methyl-1,1-disilyloxypropan-2-yl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 3-(2-methyl-1,1-disilyloxypropan-2-yl)cyclopentane-1-carboxylate is CCOC(=O)C1CCC(C(C)(C)C(O[SiH3])O[SiH3])C1.
What is the InChIKey of ethyl 3-(2-methyl-1,1-disilyloxypropan-2-yl)cyclopentane-1-carboxylate?
The InChIKey is OKKSTCXERVFGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4Si2/c1-4-14-10(13)8-5-6-9(7-8)12(2,3)11(15-17)16-18/h8-9,11H,4-7H2,1-3,17-18H3.
What are the key properties of ethyl 3-(2-methyl-1,1-disilyloxypropan-2-yl)cyclopentane-1-carboxylate?
ethyl 3-(2-methyl-1,1-disilyloxypropan-2-yl)cyclopentane-1-carboxylate has a molecular weight of 290.51 g/mol, XLogP of -0.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methyl-1,1-disilyloxypropan-2-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 175008849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).