cis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(2Z,4E)-hexa-2,4-dienyl]cyclopropane-1-carboxylate

C26H48O4Si2 — CID 10790904

IUPACcis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(2Z,4E)-hexa-2,4-dienyl]cyclopropane-1-carboxylate
SMILESC/C=C/C=C\C[C@]1(C(=O)OC)C[C@]1(/C=C/CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H48O4Si2/c1-13-14-15-16-18-25(22(27)28-8)21-26(25,30-32(11,12)24(5,6)7)19-17-20-29-31(9,10)23(2,3)4/h13-17,19H,18,20-21H2,1-12H3/b14-13+,16-15-,19-17+/t25-,26+/m1/s1
InChIKeyUFEAVKFLBFAYNL-RYVFZANISA-N
MW480.84 g/mol
LogP7.41
Rot. Bonds10

About cis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(2Z,4E)-hexa-2,4-dienyl]cyclopropane-1-carboxylate

cis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(2Z,4E)-hexa-2,4-dienyl]cyclopropane-1-carboxylate (PubChem CID 10790904) has the molecular formula C26H48O4Si2 and a molecular weight of 480.84 g/mol. Its IUPAC name is cis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(2Z,4E)-hexa-2,4-dienyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(2Z,4E)-hexa-2,4-dienyl]cyclopropane-1-carboxylate
PubChem CID10790904
Molecular FormulaC26H48O4Si2
Molecular Weight480.84 g/mol
Exact Mass480.31
IUPAC Namecis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(2Z,4E)-hexa-2,4-dienyl]cyclopropane-1-carboxylate
SMILESC/C=C/C=C\C[C@]1(C(=O)OC)C[C@]1(/C=C/CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H48O4Si2/c1-13-14-15-16-18-25(22(27)28-8)21-26(25,30-32(11,12)24(5,6)7)19-17-20-29-31(9,10)23(2,3)4/h13-17,19H,18,20-21H2,1-12H3/b14-13+,16-15-,19-17+/t25-,26+/m1/s1
InChIKeyUFEAVKFLBFAYNL-RYVFZANISA-N
XLogP7.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.84
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(2Z,4E)-hexa-2,4-dienyl]cyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(2Z,4E)-hexa-2,4-dienyl]cyclopropane-1-carboxylate (CID 10790904) is cis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(2Z,4E)-hexa-2,4-dienyl]cyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(2Z,4E)-hexa-2,4-dienyl]cyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(2Z,4E)-hexa-2,4-dienyl]cyclopropane-1-carboxylate is C/C=C/C=C\C[C@]1(C(=O)OC)C[C@]1(/C=C/CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of cis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(2Z,4E)-hexa-2,4-dienyl]cyclopropane-1-carboxylate?
The InChIKey is UFEAVKFLBFAYNL-RYVFZANISA-N. The full InChI is InChI=1S/C26H48O4Si2/c1-13-14-15-16-18-25(22(27)28-8)21-26(25,30-32(11,12)24(5,6)7)19-17-20-29-31(9,10)23(2,3)4/h13-17,19H,18,20-21H2,1-12H3/b14-13+,16-15-,19-17+/t25-,26+/m1/s1.
What are the key properties of cis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(2Z,4E)-hexa-2,4-dienyl]cyclopropane-1-carboxylate?
cis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(2Z,4E)-hexa-2,4-dienyl]cyclopropane-1-carboxylate has a molecular weight of 480.84 g/mol, XLogP of 7.41, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-1-[(2Z,4E)-hexa-2,4-dienyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 10790904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).