tert-butyl-[[(2S,5S,7R,8R)-2-[[(2S,6R)-6-(iodomethyl)oxan-2-yl]methyl]-8-methyl-1,6-dioxaspiro[4.5]decan-7-yl]methoxy]-diphenylsilane

C33H47IO4Si — CID 11456567

IUPACtert-butyl-[[(2S,5S,7R,8R)-2-[[(2S,6R)-6-(iodomethyl)oxan-2-yl]methyl]-8-methyl-1,6-dioxaspiro[4.5]decan-7-yl]methoxy]-diphenylsilane
SMILESC[C@@H]1CC[C@@]2(CC[C@@H](C[C@@H]3CCC[C@H](CI)O3)O2)O[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H47IO4Si/c1-25-18-20-33(21-19-27(37-33)22-26-12-11-13-28(23-34)36-26)38-31(25)24-35-39(32(2,3)4,29-14-7-5-8-15-29)30-16-9-6-10-17-30/h5-10,14-17,25-28,31H,11-13,18-24H2,1-4H3/t25-,26+,27+,28-,31+,33+/m1/s1
InChIKeyJZVBYOQCYKDGRU-ZGDHPUFHSA-N
MW662.73 g/mol
LogP7.02
Rot. Bonds8

About tert-butyl-[[(2S,5S,7R,8R)-2-[[(2S,6R)-6-(iodomethyl)oxan-2-yl]methyl]-8-methyl-1,6-dioxaspiro[4.5]decan-7-yl]methoxy]-diphenylsilane

tert-butyl-[[(2S,5S,7R,8R)-2-[[(2S,6R)-6-(iodomethyl)oxan-2-yl]methyl]-8-methyl-1,6-dioxaspiro[4.5]decan-7-yl]methoxy]-diphenylsilane (PubChem CID 11456567) has the molecular formula C33H47IO4Si and a molecular weight of 662.73 g/mol. Its IUPAC name is tert-butyl-[[(2S,5S,7R,8R)-2-[[(2S,6R)-6-(iodomethyl)oxan-2-yl]methyl]-8-methyl-1,6-dioxaspiro[4.5]decan-7-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,5S,7R,8R)-2-[[(2S,6R)-6-(iodomethyl)oxan-2-yl]methyl]-8-methyl-1,6-dioxaspiro[4.5]decan-7-yl]methoxy]-diphenylsilane
PubChem CID11456567
Molecular FormulaC33H47IO4Si
Molecular Weight662.73 g/mol
Exact Mass662.23
IUPAC Nametert-butyl-[[(2S,5S,7R,8R)-2-[[(2S,6R)-6-(iodomethyl)oxan-2-yl]methyl]-8-methyl-1,6-dioxaspiro[4.5]decan-7-yl]methoxy]-diphenylsilane
SMILESC[C@@H]1CC[C@@]2(CC[C@@H](C[C@@H]3CCC[C@H](CI)O3)O2)O[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H47IO4Si/c1-25-18-20-33(21-19-27(37-33)22-26-12-11-13-28(23-34)36-26)38-31(25)24-35-39(32(2,3)4,29-14-7-5-8-15-29)30-16-9-6-10-17-30/h5-10,14-17,25-28,31H,11-13,18-24H2,1-4H3/t25-,26+,27+,28-,31+,33+/m1/s1
InChIKeyJZVBYOQCYKDGRU-ZGDHPUFHSA-N
XLogP7.02
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.73
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(2S,5S,7R,8R)-2-[[(2S,6R)-6-(iodomethyl)oxan-2-yl]methyl]-8-methyl-1,6-dioxaspiro[4.5]decan-7-yl]methoxy]-diphenylsilane with MolForge

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Related Compounds

tert-butyl-[[(2S,3S,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane
CID 10321645
tert-butyl-[[(2S,5R,6S)-5-methoxy-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane
CID 11134205
Tert-butyl-diphenyl-[2-(4,6,8-trioxadispiro[4.1.57.25]tetradecan-3-yl)ethoxy]silane
CID 101097657
tert-butyl-[(4R)-4-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]pentoxy]-diphenylsilane
CID 10054152
(2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-3-ol
CID 10874560
tert-butyl-[(2S)-2-[(4R,5S,6R)-6-[(2R)-1-iodopropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-diphenylsilane
CID 10875681
3-[(2R,3S,6S,8S)-8-[(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]propan-1-ol
CID 11555801
(2R,4S,6R,8R,9S)-2-[(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhex-2-enyl]-8,9-dimethyl-1,7-dioxaspiro[5.5]undecan-4-ol
CID 13945645
tert-butyl-[2-[(2S,4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,5-dioxaspiro[5.5]undecan-2-yl]ethoxy]-diphenylsilane
CID 14164739
[(2R)-2-[(4R,5S,6S)-6-[(2S)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane
CID 14683914
[6-(6-Allyl-4-methoxymethoxy-tetrahydro-pyran-2-yl)-3-methoxy-5-methyl-1-propyl-hexyloxy]-tert-butyl-diphenyl-silane
CID 46844933
[(2S,3S,6S,8S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol
CID 46928419

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,5S,7R,8R)-2-[[(2S,6R)-6-(iodomethyl)oxan-2-yl]methyl]-8-methyl-1,6-dioxaspiro[4.5]decan-7-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2S,5S,7R,8R)-2-[[(2S,6R)-6-(iodomethyl)oxan-2-yl]methyl]-8-methyl-1,6-dioxaspiro[4.5]decan-7-yl]methoxy]-diphenylsilane (CID 11456567) is tert-butyl-[[(2S,5S,7R,8R)-2-[[(2S,6R)-6-(iodomethyl)oxan-2-yl]methyl]-8-methyl-1,6-dioxaspiro[4.5]decan-7-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2S,5S,7R,8R)-2-[[(2S,6R)-6-(iodomethyl)oxan-2-yl]methyl]-8-methyl-1,6-dioxaspiro[4.5]decan-7-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2S,5S,7R,8R)-2-[[(2S,6R)-6-(iodomethyl)oxan-2-yl]methyl]-8-methyl-1,6-dioxaspiro[4.5]decan-7-yl]methoxy]-diphenylsilane is C[C@@H]1CC[C@@]2(CC[C@@H](C[C@@H]3CCC[C@H](CI)O3)O2)O[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(2S,5S,7R,8R)-2-[[(2S,6R)-6-(iodomethyl)oxan-2-yl]methyl]-8-methyl-1,6-dioxaspiro[4.5]decan-7-yl]methoxy]-diphenylsilane?
The InChIKey is JZVBYOQCYKDGRU-ZGDHPUFHSA-N. The full InChI is InChI=1S/C33H47IO4Si/c1-25-18-20-33(21-19-27(37-33)22-26-12-11-13-28(23-34)36-26)38-31(25)24-35-39(32(2,3)4,29-14-7-5-8-15-29)30-16-9-6-10-17-30/h5-10,14-17,25-28,31H,11-13,18-24H2,1-4H3/t25-,26+,27+,28-,31+,33+/m1/s1.
What are the key properties of tert-butyl-[[(2S,5S,7R,8R)-2-[[(2S,6R)-6-(iodomethyl)oxan-2-yl]methyl]-8-methyl-1,6-dioxaspiro[4.5]decan-7-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2S,5S,7R,8R)-2-[[(2S,6R)-6-(iodomethyl)oxan-2-yl]methyl]-8-methyl-1,6-dioxaspiro[4.5]decan-7-yl]methoxy]-diphenylsilane has a molecular weight of 662.73 g/mol, XLogP of 7.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,5S,7R,8R)-2-[[(2S,6R)-6-(iodomethyl)oxan-2-yl]methyl]-8-methyl-1,6-dioxaspiro[4.5]decan-7-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 11456567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).