dimethyl (2S)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pentanedioate

C19H30O4Si — CID 135776484

IUPACdimethyl (2S)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pentanedioate
SMILESCOC(=O)CC[C@@H](C(=O)OC)[C@H](C(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H30O4Si/c1-14(2)18(24(5,6)15-10-8-7-9-11-15)16(19(21)23-4)12-13-17(20)22-3/h7-11,14,16,18H,12-13H2,1-6H3/t16-,18+/m1/s1
InChIKeyKCIMDYNWGNENJO-AEFFLSMTSA-N
MW350.53 g/mol
LogP3.37
Rot. Bonds8

About dimethyl (2S)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pentanedioate

dimethyl (2S)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pentanedioate (PubChem CID 135776484) has the molecular formula C19H30O4Si and a molecular weight of 350.53 g/mol. Its IUPAC name is dimethyl (2S)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pentanedioate.

Molecular Properties

Compound Namedimethyl (2S)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pentanedioate
PubChem CID135776484
Molecular FormulaC19H30O4Si
Molecular Weight350.53 g/mol
Exact Mass350.19
IUPAC Namedimethyl (2S)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pentanedioate
SMILESCOC(=O)CC[C@@H](C(=O)OC)[C@H](C(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H30O4Si/c1-14(2)18(24(5,6)15-10-8-7-9-11-15)16(19(21)23-4)12-13-17(20)22-3/h7-11,14,16,18H,12-13H2,1-6H3/t16-,18+/m1/s1
InChIKeyKCIMDYNWGNENJO-AEFFLSMTSA-N
XLogP3.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl (2S)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pentanedioate?
The IUPAC name of dimethyl (2S)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pentanedioate (CID 135776484) is dimethyl (2S)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pentanedioate.
What is the SMILES notation for dimethyl (2S)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pentanedioate?
The canonical SMILES for dimethyl (2S)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pentanedioate is COC(=O)CC[C@@H](C(=O)OC)[C@H](C(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of dimethyl (2S)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pentanedioate?
The InChIKey is KCIMDYNWGNENJO-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H30O4Si/c1-14(2)18(24(5,6)15-10-8-7-9-11-15)16(19(21)23-4)12-13-17(20)22-3/h7-11,14,16,18H,12-13H2,1-6H3/t16-,18+/m1/s1.
What are the key properties of dimethyl (2S)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pentanedioate?
dimethyl (2S)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pentanedioate has a molecular weight of 350.53 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2S)-2-[(1S)-1-[dimethyl(phenyl)silyl]-2-methylpropyl]pentanedioate is sourced from PubChem (CID 135776484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).