(3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-pentadecyloxolan-2-one

C43H72O4Si2 — CID 50915521

IUPAC(3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-pentadecyloxolan-2-one
SMILESCCCCCCCCCCCCCCC[C@@]1(C)OC(=O)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C43H72O4Si2/c1-11-12-13-14-15-16-17-18-19-20-21-22-29-34-43(8)39(47-48(9,10)41(2,3)4)38(40(44)46-43)35-45-49(42(5,6)7,36-30-25-23-26-31-36)37-32-27-24-28-33-37/h23-28,30-33,38-39H,11-22,29,34-35H2,1-10H3/t38-,39-,43+/m0/s1
InChIKeyCCOCJWSDRGKJJQ-TYQMUXPXSA-N
MW709.22 g/mol
LogP11.37
Rot. Bonds21

About (3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-pentadecyloxolan-2-one

(3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-pentadecyloxolan-2-one (PubChem CID 50915521) has the molecular formula C43H72O4Si2 and a molecular weight of 709.22 g/mol. Its IUPAC name is (3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-pentadecyloxolan-2-one.

Molecular Properties

Compound Name(3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-pentadecyloxolan-2-one
PubChem CID50915521
Molecular FormulaC43H72O4Si2
Molecular Weight709.22 g/mol
Exact Mass708.50
IUPAC Name(3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-pentadecyloxolan-2-one
SMILESCCCCCCCCCCCCCCC[C@@]1(C)OC(=O)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C43H72O4Si2/c1-11-12-13-14-15-16-17-18-19-20-21-22-29-34-43(8)39(47-48(9,10)41(2,3)4)38(40(44)46-43)35-45-49(42(5,6)7,36-30-25-23-26-31-36)37-32-27-24-28-33-37/h23-28,30-33,38-39H,11-22,29,34-35H2,1-10H3/t38-,39-,43+/m0/s1
InChIKeyCCOCJWSDRGKJJQ-TYQMUXPXSA-N
XLogP11.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.22
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-pentadecyloxolan-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3R,4R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hexyl-4-hydroxy-5-methyloxolan-2-one
CID 154446767
(3R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
CID 10907211
tert-butyl-diphenyl-[[(2S,3R)-3-[[(2S,3R)-3-undecyloxiran-2-yl]methyl]oxiran-2-yl]methoxy]silane
CID 11145784
tert-butyl-[3-(5-heptylfuran-2-yl)propoxy]-diphenylsilane
CID 140893830
(1R,4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-one
CID 11035946
tert-butyl-[(4-octoxycyclohexyl)methoxy]-diphenylsilane
CID 163204350
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
(3S,5S)-3-bromo-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 23726865
[(2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-decyloxan-3-yl] acetate
CID 101031088
[(2R,3R,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-4-methyl-5-oxooxolan-2-yl]methyl hexadecyl carbonate
CID 169299237
tert-butyl-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy]-diphenylsilane
CID 102304224
(3S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 71234875

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-pentadecyloxolan-2-one?
The IUPAC name of (3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-pentadecyloxolan-2-one (CID 50915521) is (3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-pentadecyloxolan-2-one.
What is the SMILES notation for (3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-pentadecyloxolan-2-one?
The canonical SMILES for (3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-pentadecyloxolan-2-one is CCCCCCCCCCCCCCC[C@@]1(C)OC(=O)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-pentadecyloxolan-2-one?
The InChIKey is CCOCJWSDRGKJJQ-TYQMUXPXSA-N. The full InChI is InChI=1S/C43H72O4Si2/c1-11-12-13-14-15-16-17-18-19-20-21-22-29-34-43(8)39(47-48(9,10)41(2,3)4)38(40(44)46-43)35-45-49(42(5,6)7,36-30-25-23-26-31-36)37-32-27-24-28-33-37/h23-28,30-33,38-39H,11-22,29,34-35H2,1-10H3/t38-,39-,43+/m0/s1.
What are the key properties of (3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-pentadecyloxolan-2-one?
(3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-pentadecyloxolan-2-one has a molecular weight of 709.22 g/mol, XLogP of 11.37, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-pentadecyloxolan-2-one is sourced from PubChem (CID 50915521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).