methyl (2R,5S)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-6-methyl-4-methylidenehept-6-enoate

C18H34O4Si — CID 102427745

IUPACmethyl (2R,5S)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-6-methyl-4-methylidenehept-6-enoate
SMILESC=C(C)[C@H](O[Si](C)(C)C(C)(C)C(C)C)C(=C)C[C@@H](O)C(=O)OC
InChIInChI=1S/C18H34O4Si/c1-12(2)16(14(5)11-15(19)17(20)21-8)22-23(9,10)18(6,7)13(3)4/h13,15-16,19H,1,5,11H2,2-4,6-10H3/t15-,16+/m1/s1
InChIKeyFRSJIZRPSINYOL-CVEARBPZSA-N
MW342.55 g/mol
LogP4.07
Rot. Bonds9

About methyl (2R,5S)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-6-methyl-4-methylidenehept-6-enoate

methyl (2R,5S)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-6-methyl-4-methylidenehept-6-enoate (PubChem CID 102427745) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is methyl (2R,5S)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-6-methyl-4-methylidenehept-6-enoate.

Molecular Properties

Compound Namemethyl (2R,5S)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-6-methyl-4-methylidenehept-6-enoate
PubChem CID102427745
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Namemethyl (2R,5S)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-6-methyl-4-methylidenehept-6-enoate
SMILESC=C(C)[C@H](O[Si](C)(C)C(C)(C)C(C)C)C(=C)C[C@@H](O)C(=O)OC
InChIInChI=1S/C18H34O4Si/c1-12(2)16(14(5)11-15(19)17(20)21-8)22-23(9,10)18(6,7)13(3)4/h13,15-16,19H,1,5,11H2,2-4,6-10H3/t15-,16+/m1/s1
InChIKeyFRSJIZRPSINYOL-CVEARBPZSA-N
XLogP4.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,5S)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-6-methyl-4-methylidenehept-6-enoate?
The IUPAC name of methyl (2R,5S)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-6-methyl-4-methylidenehept-6-enoate (CID 102427745) is methyl (2R,5S)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-6-methyl-4-methylidenehept-6-enoate.
What is the SMILES notation for methyl (2R,5S)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-6-methyl-4-methylidenehept-6-enoate?
The canonical SMILES for methyl (2R,5S)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-6-methyl-4-methylidenehept-6-enoate is C=C(C)[C@H](O[Si](C)(C)C(C)(C)C(C)C)C(=C)C[C@@H](O)C(=O)OC.
What is the InChIKey of methyl (2R,5S)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-6-methyl-4-methylidenehept-6-enoate?
The InChIKey is FRSJIZRPSINYOL-CVEARBPZSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-12(2)16(14(5)11-15(19)17(20)21-8)22-23(9,10)18(6,7)13(3)4/h13,15-16,19H,1,5,11H2,2-4,6-10H3/t15-,16+/m1/s1.
What are the key properties of methyl (2R,5S)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-6-methyl-4-methylidenehept-6-enoate?
methyl (2R,5S)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-6-methyl-4-methylidenehept-6-enoate has a molecular weight of 342.55 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,5S)-5-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-hydroxy-6-methyl-4-methylidenehept-6-enoate is sourced from PubChem (CID 102427745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).