[(2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-decyloxan-3-yl] acetate

C34H52O4Si — CID 101031088

IUPAC[(2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-decyloxan-3-yl] acetate
SMILESCCCCCCCCCC[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@H]1OC(C)=O
InChIInChI=1S/C34H52O4Si/c1-6-7-8-9-10-11-12-19-24-32-33(37-28(2)35)26-25-29(38-32)27-36-39(34(3,4)5,30-20-15-13-16-21-30)31-22-17-14-18-23-31/h13-18,20-23,29,32-33H,6-12,19,24-27H2,1-5H3/t29-,32-,33+/m0/s1
InChIKeyWQMIEESBQFXVES-QPWONNCLSA-N
MW552.87 g/mol
LogP7.57
Rot. Bonds15

About [(2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-decyloxan-3-yl] acetate

[(2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-decyloxan-3-yl] acetate (PubChem CID 101031088) has the molecular formula C34H52O4Si and a molecular weight of 552.87 g/mol. Its IUPAC name is [(2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-decyloxan-3-yl] acetate.

Molecular Properties

Compound Name[(2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-decyloxan-3-yl] acetate
PubChem CID101031088
Molecular FormulaC34H52O4Si
Molecular Weight552.87 g/mol
Exact Mass552.36
IUPAC Name[(2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-decyloxan-3-yl] acetate
SMILESCCCCCCCCCC[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@H]1OC(C)=O
InChIInChI=1S/C34H52O4Si/c1-6-7-8-9-10-11-12-19-24-32-33(37-28(2)35)26-25-29(38-32)27-36-39(34(3,4)5,30-20-15-13-16-21-30)31-22-17-14-18-23-31/h13-18,20-23,29,32-33H,6-12,19,24-27H2,1-5H3/t29-,32-,33+/m0/s1
InChIKeyWQMIEESBQFXVES-QPWONNCLSA-N
XLogP7.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.87
LogP ≤ 57.57
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 [(2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-decyloxan-3-yl] acetate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-diphenyl-[[(2S,3R)-3-[[(2S,3R)-3-undecyloxiran-2-yl]methyl]oxiran-2-yl]methoxy]silane
CID 11145784
(2R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid
CID 66663469
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
[(2S,3R,5R)-4-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 58592657
[(2R,3S,6R)-6-(2-oxobutyl)-2-pentyloxan-3-yl] acetate
CID 56927485
[(2S,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(dimethylamino)oxolan-2-yl] acetate
CID 10718012
[(2R,3R,4S,5R)-4-acetyloxy-5-acetylsulfanyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-yl] acetate
CID 91077201
[4-(4-decylcyclohexyl)cyclohexyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate
CID 140827420
[(3R,4R,7S)-2-benzoyloxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylmethoxyoxepan-3-yl] benzoate
CID 58940425
[(3S,4R,5R,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dihydroxyoxan-3-yl] acetate
CID 134931192
[(3R,4R,5S)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethynyloxolan-3-yl] acetate
CID 140772716
[(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-yl] acetate
CID 10792833

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-decyloxan-3-yl] acetate?
The IUPAC name of [(2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-decyloxan-3-yl] acetate (CID 101031088) is [(2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-decyloxan-3-yl] acetate.
What is the SMILES notation for [(2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-decyloxan-3-yl] acetate?
The canonical SMILES for [(2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-decyloxan-3-yl] acetate is CCCCCCCCCC[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@H]1OC(C)=O.
What is the InChIKey of [(2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-decyloxan-3-yl] acetate?
The InChIKey is WQMIEESBQFXVES-QPWONNCLSA-N. The full InChI is InChI=1S/C34H52O4Si/c1-6-7-8-9-10-11-12-19-24-32-33(37-28(2)35)26-25-29(38-32)27-36-39(34(3,4)5,30-20-15-13-16-21-30)31-22-17-14-18-23-31/h13-18,20-23,29,32-33H,6-12,19,24-27H2,1-5H3/t29-,32-,33+/m0/s1.
What are the key properties of [(2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-decyloxan-3-yl] acetate?
[(2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-decyloxan-3-yl] acetate has a molecular weight of 552.87 g/mol, XLogP of 7.57, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-decyloxan-3-yl] acetate is sourced from PubChem (CID 101031088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).