ethyl (E,4R)-4-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate

C17H32O3Si — CID 102463824

IUPACethyl (E,4R)-4-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate
SMILESCCOC(=O)/C=C/[C@@H](C)[C@H]1C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O3Si/c1-8-19-16(18)10-9-13(2)15-11-14(15)12-20-21(6,7)17(3,4)5/h9-10,13-15H,8,11-12H2,1-7H3/b10-9+/t13-,14+,15-/m1/s1
InChIKeyBPLFFQDASLTJFQ-JPMHCHEMSA-N
MW312.53 g/mol
LogP4.40
Rot. Bonds7

About ethyl (E,4R)-4-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate

ethyl (E,4R)-4-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate (PubChem CID 102463824) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is ethyl (E,4R)-4-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate.

Molecular Properties

Compound Nameethyl (E,4R)-4-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate
PubChem CID102463824
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Nameethyl (E,4R)-4-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate
SMILESCCOC(=O)/C=C/[C@@H](C)[C@H]1C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O3Si/c1-8-19-16(18)10-9-13(2)15-11-14(15)12-20-21(6,7)17(3,4)5/h9-10,13-15H,8,11-12H2,1-7H3/b10-9+/t13-,14+,15-/m1/s1
InChIKeyBPLFFQDASLTJFQ-JPMHCHEMSA-N
XLogP4.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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,4R)-4-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]pent-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 (E)-3-[(1S,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]prop-2-enoate
CID 15298242
ethyl (E,4R,8S)-4,8-dimethyl-9-tri(propan-2-yl)silyloxynon-2-enoate
CID 56957601
Ethyl (2e,5s)-7-{[t-butyl(dimethyl)silyloxy]-methyl}-5-methylocta-2,7-dienoate
CID 129756222
Ethyl (2e,6r)-8-[t-butyl(dimethyl)silyloxy]-2,6-dimethyl-4-methylideneoct-2-enoate
CID 129756448
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
methyl (2E,6R,8E,12E)-14-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,8,12-trien-10-ynoate
CID 135021698
methyl (2E,6R,8E,10Z,12E)-14-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,8,10,12-tetraenoate
CID 135021700
ethyl (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enoate
CID 135031674
methyl (Z,6S)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-enoate
CID 135035689
methyl (E,6S)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-2-enoate
CID 135036326

Frequently Asked Questions

What is the IUPAC name of ethyl (E,4R)-4-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate?
The IUPAC name of ethyl (E,4R)-4-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate (CID 102463824) is ethyl (E,4R)-4-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate.
What is the SMILES notation for ethyl (E,4R)-4-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate?
The canonical SMILES for ethyl (E,4R)-4-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate is CCOC(=O)/C=C/[C@@H](C)[C@H]1C[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E,4R)-4-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate?
The InChIKey is BPLFFQDASLTJFQ-JPMHCHEMSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-8-19-16(18)10-9-13(2)15-11-14(15)12-20-21(6,7)17(3,4)5/h9-10,13-15H,8,11-12H2,1-7H3/b10-9+/t13-,14+,15-/m1/s1.
What are the key properties of ethyl (E,4R)-4-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate?
ethyl (E,4R)-4-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate has a molecular weight of 312.53 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,4R)-4-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate is sourced from PubChem (CID 102463824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).