methyl (3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-4-hydroxy-3-methyl-2-methylidenepentanoate

C20H38O4Si — CID 102330146

IUPACmethyl (3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-4-hydroxy-3-methyl-2-methylidenepentanoate
SMILESC=C(C(=O)OC)[C@H](C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C20H38O4Si/c1-14(15(2)19(22)23-6)17(21)18(16-12-10-9-11-13-16)24-25(7,8)20(3,4)5/h14,16-18,21H,2,9-13H2,1,3-8H3/t14-,17-,18+/m0/s1
InChIKeyYRQGYYFGGXHLLC-JCGIZDLHSA-N
MW370.61 g/mol
LogP4.68
Rot. Bonds7

About methyl (3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-4-hydroxy-3-methyl-2-methylidenepentanoate

methyl (3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-4-hydroxy-3-methyl-2-methylidenepentanoate (PubChem CID 102330146) has the molecular formula C20H38O4Si and a molecular weight of 370.61 g/mol. Its IUPAC name is methyl (3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-4-hydroxy-3-methyl-2-methylidenepentanoate.

Molecular Properties

Compound Namemethyl (3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-4-hydroxy-3-methyl-2-methylidenepentanoate
PubChem CID102330146
Molecular FormulaC20H38O4Si
Molecular Weight370.61 g/mol
Exact Mass370.25
IUPAC Namemethyl (3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-4-hydroxy-3-methyl-2-methylidenepentanoate
SMILESC=C(C(=O)OC)[C@H](C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C20H38O4Si/c1-14(15(2)19(22)23-6)17(21)18(16-12-10-9-11-13-16)24-25(7,8)20(3,4)5/h14,16-18,21H,2,9-13H2,1,3-8H3/t14-,17-,18+/m0/s1
InChIKeyYRQGYYFGGXHLLC-JCGIZDLHSA-N
XLogP4.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.61
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-4-hydroxy-3-methyl-2-methylidenepentanoate?
The IUPAC name of methyl (3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-4-hydroxy-3-methyl-2-methylidenepentanoate (CID 102330146) is methyl (3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-4-hydroxy-3-methyl-2-methylidenepentanoate.
What is the SMILES notation for methyl (3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-4-hydroxy-3-methyl-2-methylidenepentanoate?
The canonical SMILES for methyl (3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-4-hydroxy-3-methyl-2-methylidenepentanoate is C=C(C(=O)OC)[C@H](C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1.
What is the InChIKey of methyl (3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-4-hydroxy-3-methyl-2-methylidenepentanoate?
The InChIKey is YRQGYYFGGXHLLC-JCGIZDLHSA-N. The full InChI is InChI=1S/C20H38O4Si/c1-14(15(2)19(22)23-6)17(21)18(16-12-10-9-11-13-16)24-25(7,8)20(3,4)5/h14,16-18,21H,2,9-13H2,1,3-8H3/t14-,17-,18+/m0/s1.
What are the key properties of methyl (3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-4-hydroxy-3-methyl-2-methylidenepentanoate?
methyl (3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-4-hydroxy-3-methyl-2-methylidenepentanoate has a molecular weight of 370.61 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-5-cyclohexyl-4-hydroxy-3-methyl-2-methylidenepentanoate is sourced from PubChem (CID 102330146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).