methyl (E)-6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-enoate

C27H52O4Si2 — CID 10994677

IUPACmethyl (E)-6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-enoate
SMILESC=C(C)[C@@]1(O[Si](CC)(CC)CC)CC[C@@]1(CCC/C=C/C(=O)OC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H52O4Si2/c1-12-33(13-2,14-3)31-27(23(4)5)21-20-26(27,19-17-15-16-18-24(28)29-9)22-30-32(10,11)25(6,7)8/h16,18H,4,12-15,17,19-22H2,1-3,5-11H3/b18-16+/t26-,27-/m0/s1
InChIKeyVDVFHCRGGMJFBU-OBSRPZJUSA-N
MW496.88 g/mol
LogP8.02
Rot. Bonds14

About methyl (E)-6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-enoate

methyl (E)-6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-enoate (PubChem CID 10994677) has the molecular formula C27H52O4Si2 and a molecular weight of 496.88 g/mol. Its IUPAC name is methyl (E)-6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-enoate.

Molecular Properties

Compound Namemethyl (E)-6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-enoate
PubChem CID10994677
Molecular FormulaC27H52O4Si2
Molecular Weight496.88 g/mol
Exact Mass496.34
IUPAC Namemethyl (E)-6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-enoate
SMILESC=C(C)[C@@]1(O[Si](CC)(CC)CC)CC[C@@]1(CCC/C=C/C(=O)OC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H52O4Si2/c1-12-33(13-2,14-3)31-27(23(4)5)21-20-26(27,19-17-15-16-18-24(28)29-9)22-30-32(10,11)25(6,7)8/h16,18H,4,12-15,17,19-22H2,1-3,5-11H3/b18-16+/t26-,27-/m0/s1
InChIKeyVDVFHCRGGMJFBU-OBSRPZJUSA-N
XLogP8.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.88
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (E)-6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[[(1S,2S)-1-(5,5-dibromopent-4-enyl)-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]methoxy]-dimethylsilane
CID 15188015
4-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]butan-1-ol
CID 10694523
methyl 6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-ynoate
CID 11092244
ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10826090
methyl 16-(2-ethyloxiran-2-yl)hexadec-2-enoate
CID 90979814
methyl (2E)-octadeca-2,17-dienoate
CID 11781391
methyl (2E,4R,6S,7E,9E)-4,11-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-triethylsilyloxyundeca-2,7,9-trienoate
CID 101392092
methyl (E)-hept-2-enoate
CID 5368087
methyl (E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-2-enoate
CID 102382081
trans-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-prop-1-en-2-ylcyclopropane-1-carboxylate
CID 10989748
methyl (2E,8E)-undeca-2,8-dienoate
CID 102118335
methyl 8-hydroxy-7,7-dimethyloct-2-enoate
CID 54092830

Frequently Asked Questions

What is the IUPAC name of methyl (E)-6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-enoate?
The IUPAC name of methyl (E)-6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-enoate (CID 10994677) is methyl (E)-6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-enoate.
What is the SMILES notation for methyl (E)-6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-enoate?
The canonical SMILES for methyl (E)-6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-enoate is C=C(C)[C@@]1(O[Si](CC)(CC)CC)CC[C@@]1(CCC/C=C/C(=O)OC)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E)-6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-enoate?
The InChIKey is VDVFHCRGGMJFBU-OBSRPZJUSA-N. The full InChI is InChI=1S/C27H52O4Si2/c1-12-33(13-2,14-3)31-27(23(4)5)21-20-26(27,19-17-15-16-18-24(28)29-9)22-30-32(10,11)25(6,7)8/h16,18H,4,12-15,17,19-22H2,1-3,5-11H3/b18-16+/t26-,27-/m0/s1.
What are the key properties of methyl (E)-6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-enoate?
methyl (E)-6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-enoate has a molecular weight of 496.88 g/mol, XLogP of 8.02, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-6-[(1S,2S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-1-en-2-yl-2-triethylsilyloxycyclobutyl]hex-2-enoate is sourced from PubChem (CID 10994677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).