[(4R,5S,8R)-5,8-bis(methoxymethoxy)-8-[(2R,5R)-5-[(1S)-1-(methoxymethoxy)undecyl]oxolan-2-yl]-4-(phenylmethoxymethoxy)octoxy]-tert-butyl-dimethylsilane

C43H80O10Si — CID 10652851

IUPAC[(4R,5S,8R)-5,8-bis(methoxymethoxy)-8-[(2R,5R)-5-[(1S)-1-(methoxymethoxy)undecyl]oxolan-2-yl]-4-(phenylmethoxymethoxy)octoxy]-tert-butyl-dimethylsilane
SMILESCCCCCCCCCC[C@H](OCOC)[C@H]1CC[C@H]([C@@H](CC[C@H](OCOC)[C@@H](CCCO[Si](C)(C)C(C)(C)C)OCOCc2ccccc2)OCOC)O1
InChIInChI=1S/C43H80O10Si/c1-10-11-12-13-14-15-16-20-24-38(48-32-44-5)41-28-29-42(53-41)40(50-34-46-7)27-26-39(49-33-45-6)37(25-21-30-52-54(8,9)43(2,3)4)51-35-47-31-36-22-18-17-19-23-36/h17-19,22-23,37-42H,10-16,20-21,24-35H2,1-9H3/t37-,38+,39+,40-,41-,42-/m1/s1
InChIKeyRXKJPDRDAVQHCC-GUYMWZTLSA-N
MW785.19 g/mol
LogP10.17
Rot. Bonds34

About [(4R,5S,8R)-5,8-bis(methoxymethoxy)-8-[(2R,5R)-5-[(1S)-1-(methoxymethoxy)undecyl]oxolan-2-yl]-4-(phenylmethoxymethoxy)octoxy]-tert-butyl-dimethylsilane

[(4R,5S,8R)-5,8-bis(methoxymethoxy)-8-[(2R,5R)-5-[(1S)-1-(methoxymethoxy)undecyl]oxolan-2-yl]-4-(phenylmethoxymethoxy)octoxy]-tert-butyl-dimethylsilane (PubChem CID 10652851) has the molecular formula C43H80O10Si and a molecular weight of 785.19 g/mol. Its IUPAC name is [(4R,5S,8R)-5,8-bis(methoxymethoxy)-8-[(2R,5R)-5-[(1S)-1-(methoxymethoxy)undecyl]oxolan-2-yl]-4-(phenylmethoxymethoxy)octoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4R,5S,8R)-5,8-bis(methoxymethoxy)-8-[(2R,5R)-5-[(1S)-1-(methoxymethoxy)undecyl]oxolan-2-yl]-4-(phenylmethoxymethoxy)octoxy]-tert-butyl-dimethylsilane
PubChem CID10652851
Molecular FormulaC43H80O10Si
Molecular Weight785.19 g/mol
Exact Mass784.55
IUPAC Name[(4R,5S,8R)-5,8-bis(methoxymethoxy)-8-[(2R,5R)-5-[(1S)-1-(methoxymethoxy)undecyl]oxolan-2-yl]-4-(phenylmethoxymethoxy)octoxy]-tert-butyl-dimethylsilane
SMILESCCCCCCCCCC[C@H](OCOC)[C@H]1CC[C@H]([C@@H](CC[C@H](OCOC)[C@@H](CCCO[Si](C)(C)C(C)(C)C)OCOCc2ccccc2)OCOC)O1
InChIInChI=1S/C43H80O10Si/c1-10-11-12-13-14-15-16-20-24-38(48-32-44-5)41-28-29-42(53-41)40(50-34-46-7)27-26-39(49-33-45-6)37(25-21-30-52-54(8,9)43(2,3)4)51-35-47-31-36-22-18-17-19-23-36/h17-19,22-23,37-42H,10-16,20-21,24-35H2,1-9H3/t37-,38+,39+,40-,41-,42-/m1/s1
InChIKeyRXKJPDRDAVQHCC-GUYMWZTLSA-N
XLogP10.17
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds34
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.19
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-(methoxymethoxy)tridecyl]oxolan-2-yl]oxolan-2-yl]ethyl] methanesulfonate
CID 10604124
(4S,5R)-N,N-dibenzyl-1-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)heptan-4-amine
CID 10962478
ethyl (2S,3R,6S)-2,3-dihydroxy-6-(methoxymethoxy)-6-[(2S,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]hexanoate
CID 10884421
[(1R)-1-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)tridecyl]oxolan-2-yl]pent-4-ynyl] benzoate
CID 10006193
1-(methoxymethoxy)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]heptan-4-ol
CID 89207908
(1R,3R)-1-[(2R,5R)-5-[(1R)-1-phenylmethoxyundecyl]oxolan-2-yl]pent-4-ene-1,3-diol
CID 16756044
(1R)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]undecan-1-ol
CID 11545059
(2R,5R)-2-[(1R)-1-(methoxymethoxy)undecyl]-5-[(2R,5S)-5-methyloxolan-2-yl]oxolane
CID 89207909
(2S,4Z,7R)-2-[(1S)-1-(2-methoxyethoxymethoxy)heptyl]-6,7-bis(phenylmethoxy)-2,3,6,7,8,9-hexahydrooxecin-10-one
CID 177384739
1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane
CID 66710987
tert-butyl-dimethyl-[4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxybutoxy]silane
CID 178166627
(1S)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,12R)-15-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-12-(methoxymethoxy)pentadecyl]oxolan-2-yl]oxolan-2-yl]ethane-1,2-diol
CID 10483974

Frequently Asked Questions

What is the IUPAC name of [(4R,5S,8R)-5,8-bis(methoxymethoxy)-8-[(2R,5R)-5-[(1S)-1-(methoxymethoxy)undecyl]oxolan-2-yl]-4-(phenylmethoxymethoxy)octoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(4R,5S,8R)-5,8-bis(methoxymethoxy)-8-[(2R,5R)-5-[(1S)-1-(methoxymethoxy)undecyl]oxolan-2-yl]-4-(phenylmethoxymethoxy)octoxy]-tert-butyl-dimethylsilane (CID 10652851) is [(4R,5S,8R)-5,8-bis(methoxymethoxy)-8-[(2R,5R)-5-[(1S)-1-(methoxymethoxy)undecyl]oxolan-2-yl]-4-(phenylmethoxymethoxy)octoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4R,5S,8R)-5,8-bis(methoxymethoxy)-8-[(2R,5R)-5-[(1S)-1-(methoxymethoxy)undecyl]oxolan-2-yl]-4-(phenylmethoxymethoxy)octoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(4R,5S,8R)-5,8-bis(methoxymethoxy)-8-[(2R,5R)-5-[(1S)-1-(methoxymethoxy)undecyl]oxolan-2-yl]-4-(phenylmethoxymethoxy)octoxy]-tert-butyl-dimethylsilane is CCCCCCCCCC[C@H](OCOC)[C@H]1CC[C@H]([C@@H](CC[C@H](OCOC)[C@@H](CCCO[Si](C)(C)C(C)(C)C)OCOCc2ccccc2)OCOC)O1.
What is the InChIKey of [(4R,5S,8R)-5,8-bis(methoxymethoxy)-8-[(2R,5R)-5-[(1S)-1-(methoxymethoxy)undecyl]oxolan-2-yl]-4-(phenylmethoxymethoxy)octoxy]-tert-butyl-dimethylsilane?
The InChIKey is RXKJPDRDAVQHCC-GUYMWZTLSA-N. The full InChI is InChI=1S/C43H80O10Si/c1-10-11-12-13-14-15-16-20-24-38(48-32-44-5)41-28-29-42(53-41)40(50-34-46-7)27-26-39(49-33-45-6)37(25-21-30-52-54(8,9)43(2,3)4)51-35-47-31-36-22-18-17-19-23-36/h17-19,22-23,37-42H,10-16,20-21,24-35H2,1-9H3/t37-,38+,39+,40-,41-,42-/m1/s1.
What are the key properties of [(4R,5S,8R)-5,8-bis(methoxymethoxy)-8-[(2R,5R)-5-[(1S)-1-(methoxymethoxy)undecyl]oxolan-2-yl]-4-(phenylmethoxymethoxy)octoxy]-tert-butyl-dimethylsilane?
[(4R,5S,8R)-5,8-bis(methoxymethoxy)-8-[(2R,5R)-5-[(1S)-1-(methoxymethoxy)undecyl]oxolan-2-yl]-4-(phenylmethoxymethoxy)octoxy]-tert-butyl-dimethylsilane has a molecular weight of 785.19 g/mol, XLogP of 10.17, 34 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S,8R)-5,8-bis(methoxymethoxy)-8-[(2R,5R)-5-[(1S)-1-(methoxymethoxy)undecyl]oxolan-2-yl]-4-(phenylmethoxymethoxy)octoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 10652851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).