(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6S)-5,5-dimethyl-6-[(2S)-2-triethylsilyloxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-2-yl]butan-1-ol

C42H72O4Si3 — CID 57327149

IUPAC(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6S)-5,5-dimethyl-6-[(2S)-2-triethylsilyloxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-2-yl]butan-1-ol
SMILESC=C(C[C@@H](C[C@@H]1O[C@H](C[C@H](CCO)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC1(C)C)O[Si](CC)(CC)CC)C[Si](C)(C)C
InChIInChI=1S/C42H72O4Si3/c1-13-48(14-2,15-3)45-37(30-34(4)33-47(10,11)12)32-40-42(8,9)28-26-35(44-40)31-36(27-29-43)46-49(41(5,6)7,38-22-18-16-19-23-38)39-24-20-17-21-25-39/h16-25,35-37,40,43H,4,13-15,26-33H2,1-3,5-12H3/t35-,36-,37-,40-/m0/s1
InChIKeySPOSHXINGDPNRM-HKSLQXHYSA-N
MW725.29 g/mol
LogP10.34
Rot. Bonds19

About (3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6S)-5,5-dimethyl-6-[(2S)-2-triethylsilyloxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-2-yl]butan-1-ol

(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6S)-5,5-dimethyl-6-[(2S)-2-triethylsilyloxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-2-yl]butan-1-ol (PubChem CID 57327149) has the molecular formula C42H72O4Si3 and a molecular weight of 725.29 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6S)-5,5-dimethyl-6-[(2S)-2-triethylsilyloxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-2-yl]butan-1-ol.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6S)-5,5-dimethyl-6-[(2S)-2-triethylsilyloxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-2-yl]butan-1-ol
PubChem CID57327149
Molecular FormulaC42H72O4Si3
Molecular Weight725.29 g/mol
Exact Mass724.47
IUPAC Name(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6S)-5,5-dimethyl-6-[(2S)-2-triethylsilyloxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-2-yl]butan-1-ol
SMILESC=C(C[C@@H](C[C@@H]1O[C@H](C[C@H](CCO)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC1(C)C)O[Si](CC)(CC)CC)C[Si](C)(C)C
InChIInChI=1S/C42H72O4Si3/c1-13-48(14-2,15-3)45-37(30-34(4)33-47(10,11)12)32-40-42(8,9)28-26-35(44-40)31-36(27-29-43)46-49(41(5,6)7,38-22-18-16-19-23-38)39-24-20-17-21-25-39/h16-25,35-37,40,43H,4,13-15,26-33H2,1-3,5-12H3/t35-,36-,37-,40-/m0/s1
InChIKeySPOSHXINGDPNRM-HKSLQXHYSA-N
XLogP10.34
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.29
LogP ≤ 510.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6S)-5,5-dimethyl-6-[(2S)-2-triethylsilyloxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-2-yl]butan-1-ol with MolForge

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Related Compounds

tert-butyl-[(2S)-1-[(2S,6S)-5,5-dimethyl-6-[(2S)-2-triethylsilyloxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-2-yl]-4-phenylmethoxybutan-2-yl]oxy-diphenylsilane
CID 57327163
ethyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 11978887
(4R,6R)-6-[(2R)-2-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methyloxan-2-one
CID 46844682
methyl 2-[(2R,6S)-6-[(2R,4S,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxy-7-methyl-6-triethylsilyloxynon-8-enyl]oxan-2-yl]acetate
CID 132539539
[(2S,3S,4E,6S)-6-[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,4S,6S)-4-carboxyoxy-6-methoxy-5,5-dimethyl-6-[(2S)-2-triethylsilyloxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-2-yl]butanoyl]oxypropyl]-2-hydroxy-4-(2-methoxy-2-oxoethylidene)-2-[(E)-2-methyl-5-oxopent-3-en-2-yl]oxan-3-yl] octanoate
CID 57327135
(2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-5-(trimethylsilylmethyl)hex-5-en-3-ol
CID 162404498
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
[(2S,4R)-4-[(E,1R)-1-[tert-butyl(diphenyl)silyl]oxyhex-3-enyl]oxetan-2-yl]methanol
CID 71484241
ethyl (E)-4-[(2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-3-methyloxan-2-yl]-2-methylbut-2-enoate
CID 51039490
[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]methanol
CID 16736190
(4S,5S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyl-5-triethylsilyloxyheptan-1-ol
CID 54753539
(3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol
CID 15409689

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6S)-5,5-dimethyl-6-[(2S)-2-triethylsilyloxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-2-yl]butan-1-ol?
The IUPAC name of (3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6S)-5,5-dimethyl-6-[(2S)-2-triethylsilyloxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-2-yl]butan-1-ol (CID 57327149) is (3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6S)-5,5-dimethyl-6-[(2S)-2-triethylsilyloxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-2-yl]butan-1-ol.
What is the SMILES notation for (3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6S)-5,5-dimethyl-6-[(2S)-2-triethylsilyloxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-2-yl]butan-1-ol?
The canonical SMILES for (3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6S)-5,5-dimethyl-6-[(2S)-2-triethylsilyloxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-2-yl]butan-1-ol is C=C(C[C@@H](C[C@@H]1O[C@H](C[C@H](CCO)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC1(C)C)O[Si](CC)(CC)CC)C[Si](C)(C)C.
What is the InChIKey of (3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6S)-5,5-dimethyl-6-[(2S)-2-triethylsilyloxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-2-yl]butan-1-ol?
The InChIKey is SPOSHXINGDPNRM-HKSLQXHYSA-N. The full InChI is InChI=1S/C42H72O4Si3/c1-13-48(14-2,15-3)45-37(30-34(4)33-47(10,11)12)32-40-42(8,9)28-26-35(44-40)31-36(27-29-43)46-49(41(5,6)7,38-22-18-16-19-23-38)39-24-20-17-21-25-39/h16-25,35-37,40,43H,4,13-15,26-33H2,1-3,5-12H3/t35-,36-,37-,40-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6S)-5,5-dimethyl-6-[(2S)-2-triethylsilyloxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-2-yl]butan-1-ol?
(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6S)-5,5-dimethyl-6-[(2S)-2-triethylsilyloxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-2-yl]butan-1-ol has a molecular weight of 725.29 g/mol, XLogP of 10.34, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2S,6S)-5,5-dimethyl-6-[(2S)-2-triethylsilyloxy-4-(trimethylsilylmethyl)pent-4-enyl]oxan-2-yl]butan-1-ol is sourced from PubChem (CID 57327149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).