[(2R,4aS,6R,7R,9Z,11aS)-6-ethenyl-2-(4-methoxyphenyl)-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-7-yl]oxy-tert-butyl-diphenylsilane

C35H42O5Si — CID 101470888

IUPAC[(2R,4aS,6R,7R,9Z,11aS)-6-ethenyl-2-(4-methoxyphenyl)-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-7-yl]oxy-tert-butyl-diphenylsilane
SMILESC=C[C@H]1O[C@H]2CO[C@@H](c3ccc(OC)cc3)O[C@H]2C/C=C\C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H42O5Si/c1-6-30-32(40-41(35(2,3)4,28-15-9-7-10-16-28)29-17-11-8-12-18-29)20-14-13-19-31-33(38-30)25-37-34(39-31)26-21-23-27(36-5)24-22-26/h6-18,21-24,30-34H,1,19-20,25H2,2-5H3/b14-13-/t30-,31+,32-,33+,34-/m1/s1
InChIKeyWDNMZFTWLIMASC-DGJKCRQASA-N
MW570.80 g/mol
LogP6.34
Rot. Bonds7

About [(2R,4aS,6R,7R,9Z,11aS)-6-ethenyl-2-(4-methoxyphenyl)-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-7-yl]oxy-tert-butyl-diphenylsilane

[(2R,4aS,6R,7R,9Z,11aS)-6-ethenyl-2-(4-methoxyphenyl)-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-7-yl]oxy-tert-butyl-diphenylsilane (PubChem CID 101470888) has the molecular formula C35H42O5Si and a molecular weight of 570.80 g/mol. Its IUPAC name is [(2R,4aS,6R,7R,9Z,11aS)-6-ethenyl-2-(4-methoxyphenyl)-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-7-yl]oxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2R,4aS,6R,7R,9Z,11aS)-6-ethenyl-2-(4-methoxyphenyl)-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-7-yl]oxy-tert-butyl-diphenylsilane
PubChem CID101470888
Molecular FormulaC35H42O5Si
Molecular Weight570.80 g/mol
Exact Mass570.28
IUPAC Name[(2R,4aS,6R,7R,9Z,11aS)-6-ethenyl-2-(4-methoxyphenyl)-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-7-yl]oxy-tert-butyl-diphenylsilane
SMILESC=C[C@H]1O[C@H]2CO[C@@H](c3ccc(OC)cc3)O[C@H]2C/C=C\C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H42O5Si/c1-6-30-32(40-41(35(2,3)4,28-15-9-7-10-16-28)29-17-11-8-12-18-29)20-14-13-19-31-33(38-30)25-37-34(39-31)26-21-23-27(36-5)24-22-26/h6-18,21-24,30-34H,1,19-20,25H2,2-5H3/b14-13-/t30-,31+,32-,33+,34-/m1/s1
InChIKeyWDNMZFTWLIMASC-DGJKCRQASA-N
XLogP6.34
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.80
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2R,4aS,6R,7R,9Z,11aS)-6-ethenyl-2-(4-methoxyphenyl)-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-7-yl]oxy-tert-butyl-diphenylsilane with MolForge

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Related Compounds

(6S,8R,8aS)-7-azido-6-[tert-butyl(diphenyl)silyl]oxy-2-(4-methoxyphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 91440035
(4aR,6S,8aS)-6-ethenyl-2-(4-methoxyphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 167262418
(2R,4aR,6S,9Z,10aS)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(4-methoxyphenyl)-4,4a,8,10a-tetrahydro-[1,3]dioxino[5,4-b]oxocin-7-one
CID 52937203
tert-butyl 2-[[(2R,4S,5R)-4-ethenyl-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy]acetate
CID 11428059
tert-butyl 2-[[(2R,4aR,6S,7R,9Z,10aS)-6-ethenyl-2-(4-methoxyphenyl)-4,4a,6,7,8,10a-hexahydro-[1,3]dioxino[5,4-b]oxocin-7-yl]oxy]-3-[(2R,3R,4R,4aS,9aS)-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxy-3,4,4a,6,9,9a-hexahydro-2H-pyrano[3,2-b]oxepin-2-yl]propanoate
CID 11787739
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
[(2R,4aR,6S,7R,8aS)-2-(4-methoxyphenyl)-6-(3-phenylsulfanylpropyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane
CID 11752918
(3R,4R)-3-[tert-butyl(diphenyl)silyl]oxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 15262819
2-[(2S,3R,5Z,8R,9S)-8-[tert-butyl(diphenyl)silyl]oxy-9-ethyl-3-[(4-methoxyphenyl)methoxy]-2,3,4,7,8,9-hexahydrooxonin-2-yl]acetaldehyde
CID 11628524
ethyl 2-[[(1S,3R,8S,10R,12S,13R)-12-ethenyl-6-phenyl-2,5,7,11-tetraoxatricyclo[8.4.0.03,8]tetradecan-13-yl]oxy]acetate
CID 177445588
CID 59269508
CID 59269508
tert-butyl-diphenyl-[[(4R,5R)-2-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]methoxy]silane
CID 142503970

Frequently Asked Questions

What is the IUPAC name of [(2R,4aS,6R,7R,9Z,11aS)-6-ethenyl-2-(4-methoxyphenyl)-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-7-yl]oxy-tert-butyl-diphenylsilane?
The IUPAC name of [(2R,4aS,6R,7R,9Z,11aS)-6-ethenyl-2-(4-methoxyphenyl)-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-7-yl]oxy-tert-butyl-diphenylsilane (CID 101470888) is [(2R,4aS,6R,7R,9Z,11aS)-6-ethenyl-2-(4-methoxyphenyl)-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-7-yl]oxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2R,4aS,6R,7R,9Z,11aS)-6-ethenyl-2-(4-methoxyphenyl)-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-7-yl]oxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(2R,4aS,6R,7R,9Z,11aS)-6-ethenyl-2-(4-methoxyphenyl)-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-7-yl]oxy-tert-butyl-diphenylsilane is C=C[C@H]1O[C@H]2CO[C@@H](c3ccc(OC)cc3)O[C@H]2C/C=C\C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(2R,4aS,6R,7R,9Z,11aS)-6-ethenyl-2-(4-methoxyphenyl)-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-7-yl]oxy-tert-butyl-diphenylsilane?
The InChIKey is WDNMZFTWLIMASC-DGJKCRQASA-N. The full InChI is InChI=1S/C35H42O5Si/c1-6-30-32(40-41(35(2,3)4,28-15-9-7-10-16-28)29-17-11-8-12-18-29)20-14-13-19-31-33(38-30)25-37-34(39-31)26-21-23-27(36-5)24-22-26/h6-18,21-24,30-34H,1,19-20,25H2,2-5H3/b14-13-/t30-,31+,32-,33+,34-/m1/s1.
What are the key properties of [(2R,4aS,6R,7R,9Z,11aS)-6-ethenyl-2-(4-methoxyphenyl)-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-7-yl]oxy-tert-butyl-diphenylsilane?
[(2R,4aS,6R,7R,9Z,11aS)-6-ethenyl-2-(4-methoxyphenyl)-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-7-yl]oxy-tert-butyl-diphenylsilane has a molecular weight of 570.80 g/mol, XLogP of 6.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4aS,6R,7R,9Z,11aS)-6-ethenyl-2-(4-methoxyphenyl)-4a,6,7,8,11,11a-hexahydro-4H-[1,3]dioxino[5,4-b]oxonin-7-yl]oxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 101470888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).