methyl (E,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-5-triethylsilyloxypent-2-enoate

C18H34O5Si — CID 11624652

IUPACmethyl (E,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-5-triethylsilyloxypent-2-enoate
SMILESCC[Si](CC)(CC)O[C@@H]([C@@H]1COC(C)(C)O1)[C@@H](C)/C=C/C(=O)OC
InChIInChI=1S/C18H34O5Si/c1-8-24(9-2,10-3)23-17(14(4)11-12-16(19)20-7)15-13-21-18(5,6)22-15/h11-12,14-15,17H,8-10,13H2,1-7H3/b12-11+/t14-,15-,17+/m0/s1
InChIKeyBXTVAPVEMMJULL-GKPYXUANSA-N
MW358.55 g/mol
LogP3.89
Rot. Bonds9

About methyl (E,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-5-triethylsilyloxypent-2-enoate

methyl (E,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-5-triethylsilyloxypent-2-enoate (PubChem CID 11624652) has the molecular formula C18H34O5Si and a molecular weight of 358.55 g/mol. Its IUPAC name is methyl (E,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-5-triethylsilyloxypent-2-enoate.

Molecular Properties

Compound Namemethyl (E,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-5-triethylsilyloxypent-2-enoate
PubChem CID11624652
Molecular FormulaC18H34O5Si
Molecular Weight358.55 g/mol
Exact Mass358.22
IUPAC Namemethyl (E,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-5-triethylsilyloxypent-2-enoate
SMILESCC[Si](CC)(CC)O[C@@H]([C@@H]1COC(C)(C)O1)[C@@H](C)/C=C/C(=O)OC
InChIInChI=1S/C18H34O5Si/c1-8-24(9-2,10-3)23-17(14(4)11-12-16(19)20-7)15-13-21-18(5,6)22-15/h11-12,14-15,17H,8-10,13H2,1-7H3/b12-11+/t14-,15-,17+/m0/s1
InChIKeyBXTVAPVEMMJULL-GKPYXUANSA-N
XLogP3.89
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (E,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-5-triethylsilyloxypent-2-enoate?
The IUPAC name of methyl (E,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-5-triethylsilyloxypent-2-enoate (CID 11624652) is methyl (E,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-5-triethylsilyloxypent-2-enoate.
What is the SMILES notation for methyl (E,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-5-triethylsilyloxypent-2-enoate?
The canonical SMILES for methyl (E,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-5-triethylsilyloxypent-2-enoate is CC[Si](CC)(CC)O[C@@H]([C@@H]1COC(C)(C)O1)[C@@H](C)/C=C/C(=O)OC.
What is the InChIKey of methyl (E,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-5-triethylsilyloxypent-2-enoate?
The InChIKey is BXTVAPVEMMJULL-GKPYXUANSA-N. The full InChI is InChI=1S/C18H34O5Si/c1-8-24(9-2,10-3)23-17(14(4)11-12-16(19)20-7)15-13-21-18(5,6)22-15/h11-12,14-15,17H,8-10,13H2,1-7H3/b12-11+/t14-,15-,17+/m0/s1.
What are the key properties of methyl (E,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-5-triethylsilyloxypent-2-enoate?
methyl (E,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-5-triethylsilyloxypent-2-enoate has a molecular weight of 358.55 g/mol, XLogP of 3.89, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-5-triethylsilyloxypent-2-enoate is sourced from PubChem (CID 11624652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).