ethyl (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enoate

C17H32O3Si — CID 135031674

IUPACethyl (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enoate
SMILESCCOC(=O)/C=C/[C@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)C1(C)C
InChIInChI=1S/C17H32O3Si/c1-9-19-15(18)11-10-13-14(17(13,5)6)12-20-21(7,8)16(2,3)4/h10-11,13-14H,9,12H2,1-8H3/b11-10+/t13-,14+/m0/s1
InChIKeyKPTLANPDPMWBEC-NXFSIWHZSA-N
MW312.53 g/mol
LogP4.40
Rot. Bonds6

About ethyl (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enoate

ethyl (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enoate (PubChem CID 135031674) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is ethyl (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enoate
PubChem CID135031674
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Nameethyl (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enoate
SMILESCCOC(=O)/C=C/[C@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)C1(C)C
InChIInChI=1S/C17H32O3Si/c1-9-19-15(18)11-10-13-14(17(13,5)6)12-20-21(7,8)16(2,3)4/h10-11,13-14H,9,12H2,1-8H3/b11-10+/t13-,14+/m0/s1
InChIKeyKPTLANPDPMWBEC-NXFSIWHZSA-N
XLogP4.40
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 ≤ 54.40
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'}

Analyze ethyl (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enoate with MolForge

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Related Compounds

(E) Ethyl-3-(2'-tertbutyl-3'-ethoxycarbonyl-2'-(1",1"-bistrimethylsilyl-2",2",2"-trimethyldisilanyl)cyclop-1'-yl)-prop-2-enoate
CID 139038320
ethyl (E,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enoate
CID 11197810
ethyl (2E,7Z)-5,5-dimethyl-10-trimethylsilyldeca-2,7-dienoate
CID 14617539
Ethyl (2e,5s)-7-{[t-butyl(dimethyl)silyloxy]-methyl}-5-methylocta-2,7-dienoate
CID 129756222
Ethyl (2e,5s)-7-{[t-butyl(dimethyl)silyl]oxy}-methyl-5-methylocta-2,7-dienoate
CID 129758203
Methyl (2e)-3-[(1s,2r,5r)-2-({[t-butyl(dimethyl)silyl]oxy}methyl)-5-(trimethylsilyl) cyclopent-3-en-1-yl]prop-2-enoate
CID 132278584
(2S)-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-en-2-yl]-2,3-dihydropyran-6-one
CID 135012505
[(E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enyl] ethyl carbonate
CID 135031902
ethyl (2E,4E)-5-[(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]penta-2,4-dienoate
CID 14851376
ethyl 5-[(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]penta-2,4-dienoate
CID 54199389
Ethyl 7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhept-2-enoate
CID 54380609
ethyl 3-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutyl]prop-2-enoate
CID 57205312

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enoate (CID 135031674) is ethyl (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enoate is CCOC(=O)/C=C/[C@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)C1(C)C.
What is the InChIKey of ethyl (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enoate?
The InChIKey is KPTLANPDPMWBEC-NXFSIWHZSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-9-19-15(18)11-10-13-14(17(13,5)6)12-20-21(7,8)16(2,3)4/h10-11,13-14H,9,12H2,1-8H3/b11-10+/t13-,14+/m0/s1.
What are the key properties of ethyl (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enoate?
ethyl (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enoate has a molecular weight of 312.53 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enoate is sourced from PubChem (CID 135031674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).