[(2S,3S,6S,8S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol

C28H40O4Si — CID 46928419

IUPAC[(2S,3S,6S,8S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol
SMILESC[C@H]1CC[C@]2(CCC[C@@H](CO)O2)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H40O4Si/c1-22-17-19-28(18-11-12-23(20-29)31-28)32-26(22)21-30-33(27(2,3)4,24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-10,13-16,22-23,26,29H,11-12,17-21H2,1-4H3/t22-,23-,26+,28-/m0/s1
InChIKeyXSVULSGZRPHZHH-TUYNLFGTSA-N
MW468.71 g/mol
LogP4.64
Rot. Bonds6

About [(2S,3S,6S,8S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol

[(2S,3S,6S,8S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol (PubChem CID 46928419) has the molecular formula C28H40O4Si and a molecular weight of 468.71 g/mol. Its IUPAC name is [(2S,3S,6S,8S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol.

Molecular Properties

Compound Name[(2S,3S,6S,8S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol
PubChem CID46928419
Molecular FormulaC28H40O4Si
Molecular Weight468.71 g/mol
Exact Mass468.27
IUPAC Name[(2S,3S,6S,8S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol
SMILESC[C@H]1CC[C@]2(CCC[C@@H](CO)O2)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H40O4Si/c1-22-17-19-28(18-11-12-23(20-29)31-28)32-26(22)21-30-33(27(2,3)4,24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-10,13-16,22-23,26,29H,11-12,17-21H2,1-4H3/t22-,23-,26+,28-/m0/s1
InChIKeyXSVULSGZRPHZHH-TUYNLFGTSA-N
XLogP4.64
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.71
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
1-[Tert-butyl(diphenyl)silyl]oxy-5-(1,10-dioxaspiro[4.5]decan-2-yl)pentan-3-ol
CID 21583599
2-(([Tert-butyl(diphenyl)silyl]oxy)methyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
CID 3319542
(2R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol
CID 140702952
(2R,3S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dimethoxyoxan-3-ol
CID 18646869
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
(1S)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-yn-1-ol
CID 10876321
(2S,4S)-6-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hexane-2,4-diol
CID 11123563
(2R)-2-[(2S,5S,6R)-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-3-enyl]-5-(methoxymethoxy)-5-methyloxan-2-yl]propane-1,2-diol
CID 11444508

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,6S,8S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol?
The IUPAC name of [(2S,3S,6S,8S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol (CID 46928419) is [(2S,3S,6S,8S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol.
What is the SMILES notation for [(2S,3S,6S,8S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol?
The canonical SMILES for [(2S,3S,6S,8S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol is C[C@H]1CC[C@]2(CCC[C@@H](CO)O2)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(2S,3S,6S,8S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol?
The InChIKey is XSVULSGZRPHZHH-TUYNLFGTSA-N. The full InChI is InChI=1S/C28H40O4Si/c1-22-17-19-28(18-11-12-23(20-29)31-28)32-26(22)21-30-33(27(2,3)4,24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-10,13-16,22-23,26,29H,11-12,17-21H2,1-4H3/t22-,23-,26+,28-/m0/s1.
What are the key properties of [(2S,3S,6S,8S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol?
[(2S,3S,6S,8S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol has a molecular weight of 468.71 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,6S,8S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol is sourced from PubChem (CID 46928419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).