trimethylsilyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pent-4-enoate

C20H34O2Si2 — CID 11302957

IUPACtrimethylsilyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pent-4-enoate
SMILESC=CC[C@H](C(=O)O[Si](C)(C)C)[C@H](C(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C20H34O2Si2/c1-9-13-18(20(21)22-23(4,5)6)19(16(2)3)24(7,8)17-14-11-10-12-15-17/h9-12,14-16,18-19H,1,13H2,2-8H3/t18-,19-/m0/s1
InChIKeyXTZHFIMJFZQJDB-OALUTQOASA-N
MW362.66 g/mol
LogP5.20
Rot. Bonds8

About trimethylsilyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pent-4-enoate

trimethylsilyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pent-4-enoate (PubChem CID 11302957) has the molecular formula C20H34O2Si2 and a molecular weight of 362.66 g/mol. Its IUPAC name is trimethylsilyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pent-4-enoate.

Molecular Properties

Compound Nametrimethylsilyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pent-4-enoate
PubChem CID11302957
Molecular FormulaC20H34O2Si2
Molecular Weight362.66 g/mol
Exact Mass362.21
IUPAC Nametrimethylsilyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pent-4-enoate
SMILESC=CC[C@H](C(=O)O[Si](C)(C)C)[C@H](C(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C20H34O2Si2/c1-9-13-18(20(21)22-23(4,5)6)19(16(2)3)24(7,8)17-14-11-10-12-15-17/h9-12,14-16,18-19H,1,13H2,2-8H3/t18-,19-/m0/s1
InChIKeyXTZHFIMJFZQJDB-OALUTQOASA-N
XLogP5.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.66
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dimethyl (2S)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pentanedioate
CID 135776484
dimethyl-[(2S)-pent-4-en-2-yl]-phenylsilane
CID 134970098
methyl (2R)-2-[(R)-phenyl(trimethylsilyloxy)methyl]pent-4-enoate
CID 101058397
methyl (2S,3R)-3-[dimethyl(phenyl)silyl]-2-(2-oxoethyl)pent-4-enoate
CID 101416087
3-propan-2-yloxycarbonylhex-5-en-2-yl benzoate
CID 69305019
dimethyl 2-[dimethyl(phenyl)silyl]-3-methylbutanedioate
CID 15414955
trimethylsilyl 3-methyl-2-(pyrrolidin-1-ylmethyl)pent-4-enoate
CID 10333312
prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
CID 11079127
methyl (3S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]pent-4-enoate
CID 135804698
2-amino-1-(2,6-dimethoxyphenyl)pent-4-en-1-one
CID 116811614
3-[(2R)-2-[(1S)-2-methyl-1-phenylpropyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 101143575
[(2R)-but-3-en-2-yl]-dimethyl-phenylsilane
CID 134947847

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pent-4-enoate?
The IUPAC name of trimethylsilyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pent-4-enoate (CID 11302957) is trimethylsilyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pent-4-enoate.
What is the SMILES notation for trimethylsilyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pent-4-enoate?
The canonical SMILES for trimethylsilyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pent-4-enoate is C=CC[C@H](C(=O)O[Si](C)(C)C)[C@H](C(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of trimethylsilyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pent-4-enoate?
The InChIKey is XTZHFIMJFZQJDB-OALUTQOASA-N. The full InChI is InChI=1S/C20H34O2Si2/c1-9-13-18(20(21)22-23(4,5)6)19(16(2)3)24(7,8)17-14-11-10-12-15-17/h9-12,14-16,18-19H,1,13H2,2-8H3/t18-,19-/m0/s1.
What are the key properties of trimethylsilyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pent-4-enoate?
trimethylsilyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pent-4-enoate has a molecular weight of 362.66 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2R)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pent-4-enoate is sourced from PubChem (CID 11302957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).