(2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(1R,2S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]decan-3-one

C35H58O4Si2 — CID 11135753

IUPAC(2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(1R,2S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]decan-3-one
SMILESCCCCCC[C@@H](C(=O)[C@H](C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H58O4Si2/c1-12-13-14-21-26-31(32(36)27(2)38-40(10,11)34(4,5)6)33(37)28(3)39-41(35(7,8)9,29-22-17-15-18-23-29)30-24-19-16-20-25-30/h15-20,22-25,27-28,31,33,37H,12-14,21,26H2,1-11H3/t27-,28-,31-,33-/m0/s1
InChIKeyFTBNNDWOAZXSSW-RWNSGJDNSA-N
MW599.02 g/mol
LogP7.88
Rot. Bonds15

About (2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(1R,2S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]decan-3-one

(2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(1R,2S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]decan-3-one (PubChem CID 11135753) has the molecular formula C35H58O4Si2 and a molecular weight of 599.02 g/mol. Its IUPAC name is (2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(1R,2S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]decan-3-one.

Molecular Properties

Compound Name(2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(1R,2S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]decan-3-one
PubChem CID11135753
Molecular FormulaC35H58O4Si2
Molecular Weight599.02 g/mol
Exact Mass598.39
IUPAC Name(2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(1R,2S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]decan-3-one
SMILESCCCCCC[C@@H](C(=O)[C@H](C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H58O4Si2/c1-12-13-14-21-26-31(32(36)27(2)38-40(10,11)34(4,5)6)33(37)28(3)39-41(35(7,8)9,29-22-17-15-18-23-29)30-24-19-16-20-25-30/h15-20,22-25,27-28,31,33,37H,12-14,21,26H2,1-11H3/t27-,28-,31-,33-/m0/s1
InChIKeyFTBNNDWOAZXSSW-RWNSGJDNSA-N
XLogP7.88
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.02
LogP ≤ 57.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(1R,2S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]decan-3-one?
The IUPAC name of (2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(1R,2S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]decan-3-one (CID 11135753) is (2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(1R,2S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]decan-3-one.
What is the SMILES notation for (2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(1R,2S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]decan-3-one?
The canonical SMILES for (2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(1R,2S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]decan-3-one is CCCCCC[C@@H](C(=O)[C@H](C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(1R,2S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]decan-3-one?
The InChIKey is FTBNNDWOAZXSSW-RWNSGJDNSA-N. The full InChI is InChI=1S/C35H58O4Si2/c1-12-13-14-21-26-31(32(36)27(2)38-40(10,11)34(4,5)6)33(37)28(3)39-41(35(7,8)9,29-22-17-15-18-23-29)30-24-19-16-20-25-30/h15-20,22-25,27-28,31,33,37H,12-14,21,26H2,1-11H3/t27-,28-,31-,33-/m0/s1.
What are the key properties of (2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(1R,2S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]decan-3-one?
(2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(1R,2S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]decan-3-one has a molecular weight of 599.02 g/mol, XLogP of 7.88, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(1R,2S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]decan-3-one is sourced from PubChem (CID 11135753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).