(3R,4S,5R,7S)-5-methyl-7-triethylsilyloxy-3,4-bis[tri(propan-2-yl)silyloxy]octan-2-one

C33H72O4Si3 — CID 10908261

IUPAC(3R,4S,5R,7S)-5-methyl-7-triethylsilyloxy-3,4-bis[tri(propan-2-yl)silyloxy]octan-2-one
SMILESCC[Si](CC)(CC)O[C@@H](C)C[C@@H](C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C(C)=O
InChIInChI=1S/C33H72O4Si3/c1-19-38(20-2,21-3)35-30(17)22-29(16)32(36-39(23(4)5,24(6)7)25(8)9)33(31(18)34)37-40(26(10)11,27(12)13)28(14)15/h23-30,32-33H,19-22H2,1-18H3/t29-,30+,32+,33+/m1/s1
InChIKeyVMFRTZVKUFLOGD-DRWBPFAOSA-N
MW617.19 g/mol
LogP11.13
Rot. Bonds20

About (3R,4S,5R,7S)-5-methyl-7-triethylsilyloxy-3,4-bis[tri(propan-2-yl)silyloxy]octan-2-one

(3R,4S,5R,7S)-5-methyl-7-triethylsilyloxy-3,4-bis[tri(propan-2-yl)silyloxy]octan-2-one (PubChem CID 10908261) has the molecular formula C33H72O4Si3 and a molecular weight of 617.19 g/mol. Its IUPAC name is (3R,4S,5R,7S)-5-methyl-7-triethylsilyloxy-3,4-bis[tri(propan-2-yl)silyloxy]octan-2-one.

Molecular Properties

Compound Name(3R,4S,5R,7S)-5-methyl-7-triethylsilyloxy-3,4-bis[tri(propan-2-yl)silyloxy]octan-2-one
PubChem CID10908261
Molecular FormulaC33H72O4Si3
Molecular Weight617.19 g/mol
Exact Mass616.47
IUPAC Name(3R,4S,5R,7S)-5-methyl-7-triethylsilyloxy-3,4-bis[tri(propan-2-yl)silyloxy]octan-2-one
SMILESCC[Si](CC)(CC)O[C@@H](C)C[C@@H](C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C(C)=O
InChIInChI=1S/C33H72O4Si3/c1-19-38(20-2,21-3)35-30(17)22-29(16)32(36-39(23(4)5,24(6)7)25(8)9)33(31(18)34)37-40(26(10)11,27(12)13)28(14)15/h23-30,32-33H,19-22H2,1-18H3/t29-,30+,32+,33+/m1/s1
InChIKeyVMFRTZVKUFLOGD-DRWBPFAOSA-N
XLogP11.13
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.19
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,5R,7S)-5-methyl-3,4-bis(triethylsilyloxy)-7-trimethylsilyloxyoctan-2-one
CID 24898007
(3R,4S,5R,7R)-3,4,7,8-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloctan-2-one
CID 53483885
(3R,4S)-1,3,4-tris[[tert-butyl(dimethyl)silyl]oxy]octadecan-2-one
CID 134846351
(3R,5R)-6-cyclopropyl-3,4,5,7-tetrakis(trimethylsilyloxy)heptan-2-one
CID 68212747
(3S,7S,8S)-1,3,7-tris[[tert-butyl(dimethyl)silyl]oxy]-4,4,8-trimethyltridecan-5-one
CID 87871050
(2R,3S,11S)-2-[tert-butyl(dimethyl)silyl]oxy-3,11-dimethylnonacosan-4-one
CID 88510900
1,3,7-Tris[[tert-butyl(dimethyl)silyl]oxy]-4,4,8-trimethyltridecan-5-one
CID 140515356
(3R,5S,8R,9S,10R,12S)-12-[tert-butyl(dimethyl)silyl]oxy-3,10-dimethyl-3,5,8,9-tetrakis[tri(propan-2-yl)silyloxy]tridec-1-yn-7-one
CID 10558009
(3R,4S,5R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxy-5-methyloctan-2-one
CID 10662324
(3R,4S,5R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyl-3,4-bis[tri(propan-2-yl)silyloxy]octan-2-one
CID 10770125
(2S,3R,6S,7S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-hydroxy-7-methylcycloheptan-1-one
CID 11165563
(3R,4S,5R,7R)-3,4,7-tris[[tert-butyl(dimethyl)silyl]oxy]-5-methyloctan-2-one
CID 11295535

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,7S)-5-methyl-7-triethylsilyloxy-3,4-bis[tri(propan-2-yl)silyloxy]octan-2-one?
The IUPAC name of (3R,4S,5R,7S)-5-methyl-7-triethylsilyloxy-3,4-bis[tri(propan-2-yl)silyloxy]octan-2-one (CID 10908261) is (3R,4S,5R,7S)-5-methyl-7-triethylsilyloxy-3,4-bis[tri(propan-2-yl)silyloxy]octan-2-one.
What is the SMILES notation for (3R,4S,5R,7S)-5-methyl-7-triethylsilyloxy-3,4-bis[tri(propan-2-yl)silyloxy]octan-2-one?
The canonical SMILES for (3R,4S,5R,7S)-5-methyl-7-triethylsilyloxy-3,4-bis[tri(propan-2-yl)silyloxy]octan-2-one is CC[Si](CC)(CC)O[C@@H](C)C[C@@H](C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C(C)=O.
What is the InChIKey of (3R,4S,5R,7S)-5-methyl-7-triethylsilyloxy-3,4-bis[tri(propan-2-yl)silyloxy]octan-2-one?
The InChIKey is VMFRTZVKUFLOGD-DRWBPFAOSA-N. The full InChI is InChI=1S/C33H72O4Si3/c1-19-38(20-2,21-3)35-30(17)22-29(16)32(36-39(23(4)5,24(6)7)25(8)9)33(31(18)34)37-40(26(10)11,27(12)13)28(14)15/h23-30,32-33H,19-22H2,1-18H3/t29-,30+,32+,33+/m1/s1.
What are the key properties of (3R,4S,5R,7S)-5-methyl-7-triethylsilyloxy-3,4-bis[tri(propan-2-yl)silyloxy]octan-2-one?
(3R,4S,5R,7S)-5-methyl-7-triethylsilyloxy-3,4-bis[tri(propan-2-yl)silyloxy]octan-2-one has a molecular weight of 617.19 g/mol, XLogP of 11.13, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,7S)-5-methyl-7-triethylsilyloxy-3,4-bis[tri(propan-2-yl)silyloxy]octan-2-one is sourced from PubChem (CID 10908261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).