tert-butyl-[(Z,2S,3R,4S,8S,9R,10R)-9-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,5S)-2,5-dimethyl-1,3-dioxan-4-yl]-3-(methoxymethoxy)-2,4,6,8-tetramethylundec-5-enoxy]-dimethylsilane

C35H72O6Si2 — CID 59678393

IUPACtert-butyl-[(Z,2S,3R,4S,8S,9R,10R)-9-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,5S)-2,5-dimethyl-1,3-dioxan-4-yl]-3-(methoxymethoxy)-2,4,6,8-tetramethylundec-5-enoxy]-dimethylsilane
SMILESCOCO[C@H]([C@@H](C)/C=C(/C)C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]1O[C@@H](C)OC[C@@H]1C)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C35H72O6Si2/c1-24(19-25(2)31(38-23-36-14)28(5)22-39-42(15,16)34(8,9)10)20-26(3)33(41-43(17,18)35(11,12)13)29(6)32-27(4)21-37-30(7)40-32/h19,25-33H,20-23H2,1-18H3/b24-19-/t25-,26-,27-,28-,29+,30-,31+,32-,33+/m0/s1
InChIKeyBIVOIDFRMYAQNN-URJFAQEASA-N
MW645.13 g/mol
LogP9.67
Rot. Bonds16

About tert-butyl-[(Z,2S,3R,4S,8S,9R,10R)-9-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,5S)-2,5-dimethyl-1,3-dioxan-4-yl]-3-(methoxymethoxy)-2,4,6,8-tetramethylundec-5-enoxy]-dimethylsilane

tert-butyl-[(Z,2S,3R,4S,8S,9R,10R)-9-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,5S)-2,5-dimethyl-1,3-dioxan-4-yl]-3-(methoxymethoxy)-2,4,6,8-tetramethylundec-5-enoxy]-dimethylsilane (PubChem CID 59678393) has the molecular formula C35H72O6Si2 and a molecular weight of 645.13 g/mol. Its IUPAC name is tert-butyl-[(Z,2S,3R,4S,8S,9R,10R)-9-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,5S)-2,5-dimethyl-1,3-dioxan-4-yl]-3-(methoxymethoxy)-2,4,6,8-tetramethylundec-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z,2S,3R,4S,8S,9R,10R)-9-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,5S)-2,5-dimethyl-1,3-dioxan-4-yl]-3-(methoxymethoxy)-2,4,6,8-tetramethylundec-5-enoxy]-dimethylsilane
PubChem CID59678393
Molecular FormulaC35H72O6Si2
Molecular Weight645.13 g/mol
Exact Mass644.49
IUPAC Nametert-butyl-[(Z,2S,3R,4S,8S,9R,10R)-9-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,5S)-2,5-dimethyl-1,3-dioxan-4-yl]-3-(methoxymethoxy)-2,4,6,8-tetramethylundec-5-enoxy]-dimethylsilane
SMILESCOCO[C@H]([C@@H](C)/C=C(/C)C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]1O[C@@H](C)OC[C@@H]1C)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C35H72O6Si2/c1-24(19-25(2)31(38-23-36-14)28(5)22-39-42(15,16)34(8,9)10)20-26(3)33(41-43(17,18)35(11,12)13)29(6)32-27(4)21-37-30(7)40-32/h19,25-33H,20-23H2,1-18H3/b24-19-/t25-,26-,27-,28-,29+,30-,31+,32-,33+/m0/s1
InChIKeyBIVOIDFRMYAQNN-URJFAQEASA-N
XLogP9.67
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.13
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl-[(Z,2S,3R,4S,8S,9R,10R)-9-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,5S)-2,5-dimethyl-1,3-dioxan-4-yl]-3-(methoxymethoxy)-2,4,6,8-tetramethylundec-5-enoxy]-dimethylsilane with MolForge

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Related Compounds

tert-butyl-[[(3S,4R,5S,6S,8R,9R,10R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,9-trimethyl-2-methylidene-8-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
CID 11156528
tert-butyl-[[(2R,3S,6S,8R,9S)-8-[(2E,4E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnona-2,4,8-trienyl]-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane
CID 24749653
(3S,4S,5E,7S,8R,9S,11S,13S)-3,5,7,9,11,13-hexamethyl-8-[3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxypentadeca-1,5-dien-4-ol
CID 134836551
tert-butyl-[2-[(4S,6S)-2,2-dimethyl-6-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methyl]-1,3-dioxan-4-yl]ethoxy]-dimethylsilane
CID 134850568
tert-butyl-[(E,2R,3R)-1-(2,6-dimethoxyoxan-4-yl)-3-methyl-5-trimethylsilylpent-4-en-2-yl]oxy-dimethylsilane
CID 134922656
(E,2S,3S)-6-[(2R,3S,6S,8R,10S)-2-[(2S)-butan-2-yl]-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2,4-dimethyl-3-(2-trimethylsilylethoxymethoxy)hex-4-en-1-ol
CID 134931436
tert-butyl-[[(2R,3S)-8-[(2E,4E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnona-2,4,8-trienyl]-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane
CID 134940747
(2R,3R,4S,5S,6S,7R,10E,12R,13R,14E,16R)-2-[(2S,3S,6S)-6-methoxy-3-methyloxan-2-yl]-4,6,12,14,16-pentamethyl-3,5,13-tris(triethylsilyloxy)nonadeca-10,14-dien-7-ol
CID 134953249
[(7S,8S,8aR)-8-[2-[(4R,6S)-2,2-dimethyl-6-(2-triethylsilyloxyethyl)-1,3-dioxan-4-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]oxy-triethylsilane
CID 134982986
bis[(Z)-but-2-enyl]-[(2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane
CID 135070779
(3R,4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(E,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-2-enyl]-6-(2-hydroxyethyl)oxan-2-ol
CID 135086556
(4R,8R,9S,E)-8-((tert-butyldimethylsilyl)oxy)-9-((4S,6R)-6-((Z)-hex-4-en-1-yl)-2,2-dimethyl-1,3-dioxan-4-yl)-6-methyldec-6-en-4-yl acetate
CID 163319753

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z,2S,3R,4S,8S,9R,10R)-9-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,5S)-2,5-dimethyl-1,3-dioxan-4-yl]-3-(methoxymethoxy)-2,4,6,8-tetramethylundec-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z,2S,3R,4S,8S,9R,10R)-9-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,5S)-2,5-dimethyl-1,3-dioxan-4-yl]-3-(methoxymethoxy)-2,4,6,8-tetramethylundec-5-enoxy]-dimethylsilane (CID 59678393) is tert-butyl-[(Z,2S,3R,4S,8S,9R,10R)-9-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,5S)-2,5-dimethyl-1,3-dioxan-4-yl]-3-(methoxymethoxy)-2,4,6,8-tetramethylundec-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z,2S,3R,4S,8S,9R,10R)-9-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,5S)-2,5-dimethyl-1,3-dioxan-4-yl]-3-(methoxymethoxy)-2,4,6,8-tetramethylundec-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z,2S,3R,4S,8S,9R,10R)-9-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,5S)-2,5-dimethyl-1,3-dioxan-4-yl]-3-(methoxymethoxy)-2,4,6,8-tetramethylundec-5-enoxy]-dimethylsilane is COCO[C@H]([C@@H](C)/C=C(/C)C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]1O[C@@H](C)OC[C@@H]1C)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z,2S,3R,4S,8S,9R,10R)-9-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,5S)-2,5-dimethyl-1,3-dioxan-4-yl]-3-(methoxymethoxy)-2,4,6,8-tetramethylundec-5-enoxy]-dimethylsilane?
The InChIKey is BIVOIDFRMYAQNN-URJFAQEASA-N. The full InChI is InChI=1S/C35H72O6Si2/c1-24(19-25(2)31(38-23-36-14)28(5)22-39-42(15,16)34(8,9)10)20-26(3)33(41-43(17,18)35(11,12)13)29(6)32-27(4)21-37-30(7)40-32/h19,25-33H,20-23H2,1-18H3/b24-19-/t25-,26-,27-,28-,29+,30-,31+,32-,33+/m0/s1.
What are the key properties of tert-butyl-[(Z,2S,3R,4S,8S,9R,10R)-9-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,5S)-2,5-dimethyl-1,3-dioxan-4-yl]-3-(methoxymethoxy)-2,4,6,8-tetramethylundec-5-enoxy]-dimethylsilane?
tert-butyl-[(Z,2S,3R,4S,8S,9R,10R)-9-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,5S)-2,5-dimethyl-1,3-dioxan-4-yl]-3-(methoxymethoxy)-2,4,6,8-tetramethylundec-5-enoxy]-dimethylsilane has a molecular weight of 645.13 g/mol, XLogP of 9.67, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z,2S,3R,4S,8S,9R,10R)-9-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,5S)-2,5-dimethyl-1,3-dioxan-4-yl]-3-(methoxymethoxy)-2,4,6,8-tetramethylundec-5-enoxy]-dimethylsilane is sourced from PubChem (CID 59678393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).