ethyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate

C18H34O3Si — CID 76828956

IUPACethyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate
SMILESCCOC(=O)C=C1CC(CC)C(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C18H34O3Si/c1-8-15-10-14(12-17(19)20-9-2)11-16(15)13-21-22(6,7)18(3,4)5/h12,15-16H,8-11,13H2,1-7H3
InChIKeyIPVBZRADUGNVLC-UHFFFAOYSA-N
MW326.55 g/mol
LogP4.93
Rot. Bonds6

About ethyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate

ethyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate (PubChem CID 76828956) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is ethyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate
PubChem CID76828956
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Nameethyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate
SMILESCCOC(=O)C=C1CC(CC)C(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C18H34O3Si/c1-8-15-10-14(12-17(19)20-9-2)11-16(15)13-21-22(6,7)18(3,4)5/h12,15-16H,8-11,13H2,1-7H3
InChIKeyIPVBZRADUGNVLC-UHFFFAOYSA-N
XLogP4.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.93
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

3-[(4S,8S)-4,8,12-trimethyltridecyl]-2H-furan-5-one
CID 162904902
ethyl (2E,4E)-5-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]penta-2,4-dienoate
CID 88465472
ethyl (2E,4E)-5-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]penta-2,4-dienoate
CID 14851417
ethyl (E)-3-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]prop-2-enoate
CID 15298242
ethyl (E,4R)-4-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]-4-tri(propan-2-yl)silyloxybut-2-enoate
CID 53362986
ethyl (E,4R,8S)-4,8-dimethyl-9-tri(propan-2-yl)silyloxynon-2-enoate
CID 56957601
ethyl (2Z)-2-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-1-en-2-ylcyclopentylidene]acetate
CID 101012135
methyl (E)-3-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2,5-dihydrofuran-3-yl)cyclopentyl]prop-2-enoate
CID 101270915
Ethyl (2e,5s)-7-{[t-butyl(dimethyl)silyloxy]-methyl}-5-methylocta-2,7-dienoate
CID 129756222
methyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-3-methylpent-2-enoate
CID 134943935
ethyl (E,4R)-4-[(1R,2S)-2-[(E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-enyl]cyclopentyl]-4-tri(propan-2-yl)silyloxybut-2-enoate
CID 135017968
methyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(1R)-2,3-dimethylidenecyclopentyl]hex-2-enoate
CID 135018272

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate?
The IUPAC name of ethyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate (CID 76828956) is ethyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate.
What is the SMILES notation for ethyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate?
The canonical SMILES for ethyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate is CCOC(=O)C=C1CC(CC)C(CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of ethyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate?
The InChIKey is IPVBZRADUGNVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-8-15-10-14(12-17(19)20-9-2)11-16(15)13-21-22(6,7)18(3,4)5/h12,15-16H,8-11,13H2,1-7H3.
What are the key properties of ethyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate?
ethyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate has a molecular weight of 326.55 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate is sourced from PubChem (CID 76828956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).