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

C28H56O4Si2 — CID 11156528

IUPACtert-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
SMILESC=C1O[C@@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C(C)C)O2)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C28H56O4Si2/c1-18(2)24-20(4)23(31-33(13,14)26(7,8)9)17-28(30-24)21(5)25(19(3)22(6)29-28)32-34(15,16)27(10,11)12/h18-21,23-25H,6,17H2,1-5,7-16H3/t19-,20+,21+,23-,24-,25-,28-/m1/s1
InChIKeyYQGTYLCCSFHIEA-MNBFDHHASA-N
MW512.92 g/mol
LogP8.36
Rot. Bonds5

About 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

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 (PubChem CID 11156528) has the molecular formula C28H56O4Si2 and a molecular weight of 512.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID11156528
Molecular FormulaC28H56O4Si2
Molecular Weight512.92 g/mol
Exact Mass512.37
IUPAC Nametert-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
SMILESC=C1O[C@@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C(C)C)O2)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C28H56O4Si2/c1-18(2)24-20(4)23(31-33(13,14)26(7,8)9)17-28(30-24)21(5)25(19(3)22(6)29-28)32-34(15,16)27(10,11)12/h18-21,23-25H,6,17H2,1-5,7-16H3/t19-,20+,21+,23-,24-,25-,28-/m1/s1
InChIKeyYQGTYLCCSFHIEA-MNBFDHHASA-N
XLogP8.36
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.92
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

tert-butyl-[2-[(2R,3S,6S)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane
CID 10500136
tert-butyl-[(1S)-1-[(2S,4R,6S,8S,10S)-2-[(R)-methoxymethoxy-(2-methyl-1,3-dioxolan-2-yl)methyl]-4,10-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylprop-2-enoxy]-dimethylsilane
CID 71490156
(4S,5S)-5-[(3R)-3-[(2S,3S,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-2,2,4-trimethyl-3-methylideneoxasilolane
CID 134846315
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
tert-butyl-[(2S)-1-[(4R)-8-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-9-methyl-1,5,7-trioxaspiro[5.5]undecan-4-yl]hept-6-en-2-yl]oxy-dimethylsilane
CID 134940115
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
tert-butyl-[[(2S,4R,5R,6R,10R,11S)-4-[tert-butyl(dimethyl)silyl]oxy-2,5,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
CID 11648250
tert-butyl-[[(3R,4R,5R,6R,10R,11S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
CID 102333490
tert-butyl-[[(3S,4R,5R,6R,10R,11S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
CID 102333494
tert-butyl-dimethyl-[3-[(2R,6S,8S)-3-methyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]propoxy]silane
CID 59456495
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C1O[C@@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C(C)C)O2)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C.
What is the InChIKey of 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?
The InChIKey is YQGTYLCCSFHIEA-MNBFDHHASA-N. The full InChI is InChI=1S/C28H56O4Si2/c1-18(2)24-20(4)23(31-33(13,14)26(7,8)9)17-28(30-24)21(5)25(19(3)22(6)29-28)32-34(15,16)27(10,11)12/h18-21,23-25H,6,17H2,1-5,7-16H3/t19-,20+,21+,23-,24-,25-,28-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 512.92 g/mol, XLogP of 8.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 11156528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).