ditert-butyl (2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpentanedioate

C23H46O5Si — CID 90369567

IUPACditert-butyl (2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpentanedioate
SMILESC[C@@H](CC(CCCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C23H46O5Si/c1-17(19(24)27-21(2,3)4)16-18(20(25)28-22(5,6)7)14-13-15-26-29(11,12)23(8,9)10/h17-18H,13-16H2,1-12H3/t17-,18?/m0/s1
InChIKeyUWGLVCMKXSJMDW-ZENAZSQFSA-N
MW430.70 g/mol
LogP6.11
Rot. Bonds9

About ditert-butyl (2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpentanedioate

ditert-butyl (2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpentanedioate (PubChem CID 90369567) has the molecular formula C23H46O5Si and a molecular weight of 430.70 g/mol. Its IUPAC name is ditert-butyl (2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpentanedioate.

Molecular Properties

Compound Nameditert-butyl (2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpentanedioate
PubChem CID90369567
Molecular FormulaC23H46O5Si
Molecular Weight430.70 g/mol
Exact Mass430.31
IUPAC Nameditert-butyl (2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpentanedioate
SMILESC[C@@H](CC(CCCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C23H46O5Si/c1-17(19(24)27-21(2,3)4)16-18(20(25)28-22(5,6)7)14-13-15-26-29(11,12)23(8,9)10/h17-18H,13-16H2,1-12H3/t17-,18?/m0/s1
InChIKeyUWGLVCMKXSJMDW-ZENAZSQFSA-N
XLogP6.11
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.70
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl (2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpentanedioate?
The IUPAC name of ditert-butyl (2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpentanedioate (CID 90369567) is ditert-butyl (2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpentanedioate.
What is the SMILES notation for ditert-butyl (2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpentanedioate?
The canonical SMILES for ditert-butyl (2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpentanedioate is C[C@@H](CC(CCCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl (2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpentanedioate?
The InChIKey is UWGLVCMKXSJMDW-ZENAZSQFSA-N. The full InChI is InChI=1S/C23H46O5Si/c1-17(19(24)27-21(2,3)4)16-18(20(25)28-22(5,6)7)14-13-15-26-29(11,12)23(8,9)10/h17-18H,13-16H2,1-12H3/t17-,18?/m0/s1.
What are the key properties of ditert-butyl (2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpentanedioate?
ditert-butyl (2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpentanedioate has a molecular weight of 430.70 g/mol, XLogP of 6.11, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl (2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylpentanedioate is sourced from PubChem (CID 90369567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).