trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(Z)-hex-1-enyl]cyclopropane-1-carboxylate

C21H40O3Si — CID 10523079

IUPACtrans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(Z)-hex-1-enyl]cyclopropane-1-carboxylate
SMILESCCCC/C=C\[C@H]1C[C@@]1(CO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C21H40O3Si/c1-10-11-12-13-14-17-15-21(17,18(22)24-19(2,3)4)16-23-25(8,9)20(5,6)7/h13-14,17H,10-12,15-16H2,1-9H3/b14-13-/t17-,21-/m0/s1
InChIKeyRNRBPYLFYKCNOW-HMWGEHFTSA-N
MW368.63 g/mol
LogP6.10
Rot. Bonds8

About trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(Z)-hex-1-enyl]cyclopropane-1-carboxylate

trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(Z)-hex-1-enyl]cyclopropane-1-carboxylate (PubChem CID 10523079) has the molecular formula C21H40O3Si and a molecular weight of 368.63 g/mol. Its IUPAC name is trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(Z)-hex-1-enyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(Z)-hex-1-enyl]cyclopropane-1-carboxylate
PubChem CID10523079
Molecular FormulaC21H40O3Si
Molecular Weight368.63 g/mol
Exact Mass368.27
IUPAC Nametrans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(Z)-hex-1-enyl]cyclopropane-1-carboxylate
SMILESCCCC/C=C\[C@H]1C[C@@]1(CO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C21H40O3Si/c1-10-11-12-13-14-17-15-21(17,18(22)24-19(2,3)4)16-23-25(8,9)20(5,6)7/h13-14,17H,10-12,15-16H2,1-9H3/b14-13-/t17-,21-/m0/s1
InChIKeyRNRBPYLFYKCNOW-HMWGEHFTSA-N
XLogP6.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.63
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

dimethyl 2-[(E)-4-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]but-2-enyl]propanedioate
CID 10950262
diethyl 2-[(E)-3-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]prop-2-enyl]-2-prop-2-enylpropanedioate
CID 101853918
dimethyl 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-enyl]cyclopropane-1,1-dicarboxylate
CID 102143484
tert-butyl (E)-2-acetyl-5-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]pent-4-enoate
CID 135031905
dimethyl 2-[(E)-3-trimethylsilylprop-1-enyl]cyclopropane-1,1-dicarboxylate
CID 135042043
diethyl 2-[(E)-but-2-enyl]-2-(4-triethylsilylbutan-2-yl)propanedioate
CID 10691453
trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenylcyclopropane-1-carboxylate
CID 10781443
tetramethyl (3E,8E)-10-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]deca-3,8-diene-1,1,6,6-tetracarboxylate
CID 10841625
ethyl (3S,4R)-2,2,4-trimethyl-3-triethylsilyloxyhex-5-enoate
CID 12167547
dimethyl 2-[(E)-4-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]but-2-enyl]propanedioate
CID 15362856
tetramethyl (3E,8E)-10-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]deca-3,8-diene-1,1,6,6-tetracarboxylate
CID 21638126
tert-butyl (1S,2S,3R)-2-[(E,3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-enyl]-3-methylcyclopropane-1-carboxylate
CID 46915894

Frequently Asked Questions

What is the IUPAC name of trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(Z)-hex-1-enyl]cyclopropane-1-carboxylate?
The IUPAC name of trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(Z)-hex-1-enyl]cyclopropane-1-carboxylate (CID 10523079) is trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(Z)-hex-1-enyl]cyclopropane-1-carboxylate.
What is the SMILES notation for trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(Z)-hex-1-enyl]cyclopropane-1-carboxylate?
The canonical SMILES for trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(Z)-hex-1-enyl]cyclopropane-1-carboxylate is CCCC/C=C\[C@H]1C[C@@]1(CO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(Z)-hex-1-enyl]cyclopropane-1-carboxylate?
The InChIKey is RNRBPYLFYKCNOW-HMWGEHFTSA-N. The full InChI is InChI=1S/C21H40O3Si/c1-10-11-12-13-14-17-15-21(17,18(22)24-19(2,3)4)16-23-25(8,9)20(5,6)7/h13-14,17H,10-12,15-16H2,1-9H3/b14-13-/t17-,21-/m0/s1.
What are the key properties of trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(Z)-hex-1-enyl]cyclopropane-1-carboxylate?
trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(Z)-hex-1-enyl]cyclopropane-1-carboxylate has a molecular weight of 368.63 g/mol, XLogP of 6.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(Z)-hex-1-enyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 10523079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).