tert-butyl-dimethyl-[[2-[[(2S)-4-methyl-1,4-oxazepan-2-yl]methoxy]pyrimidin-4-yl]methoxy]silane

C18H33N3O3Si — CID 154608291

IUPACtert-butyl-dimethyl-[[2-[[(2S)-4-methyl-1,4-oxazepan-2-yl]methoxy]pyrimidin-4-yl]methoxy]silane
SMILESCN1CCCO[C@H](COc2nccc(CO[Si](C)(C)C(C)(C)C)n2)C1
InChIInChI=1S/C18H33N3O3Si/c1-18(2,3)25(5,6)24-13-15-8-9-19-17(20-15)23-14-16-12-21(4)10-7-11-22-16/h8-9,16H,7,10-14H2,1-6H3/t16-/m0/s1
InChIKeyGNKXOUKXACLUGQ-INIZCTEOSA-N
MW367.57 g/mol
LogP3.10
Rot. Bonds6

About tert-butyl-dimethyl-[[2-[[(2S)-4-methyl-1,4-oxazepan-2-yl]methoxy]pyrimidin-4-yl]methoxy]silane

tert-butyl-dimethyl-[[2-[[(2S)-4-methyl-1,4-oxazepan-2-yl]methoxy]pyrimidin-4-yl]methoxy]silane (PubChem CID 154608291) has the molecular formula C18H33N3O3Si and a molecular weight of 367.57 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[2-[[(2S)-4-methyl-1,4-oxazepan-2-yl]methoxy]pyrimidin-4-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[2-[[(2S)-4-methyl-1,4-oxazepan-2-yl]methoxy]pyrimidin-4-yl]methoxy]silane
PubChem CID154608291
Molecular FormulaC18H33N3O3Si
Molecular Weight367.57 g/mol
Exact Mass367.23
IUPAC Nametert-butyl-dimethyl-[[2-[[(2S)-4-methyl-1,4-oxazepan-2-yl]methoxy]pyrimidin-4-yl]methoxy]silane
SMILESCN1CCCO[C@H](COc2nccc(CO[Si](C)(C)C(C)(C)C)n2)C1
InChIInChI=1S/C18H33N3O3Si/c1-18(2,3)25(5,6)24-13-15-8-9-19-17(20-15)23-14-16-12-21(4)10-7-11-22-16/h8-9,16H,7,10-14H2,1-6H3/t16-/m0/s1
InChIKeyGNKXOUKXACLUGQ-INIZCTEOSA-N
XLogP3.10
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.57
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[2-[[(2S)-4-methyl-1,4-oxazepan-2-yl]methoxy]pyrimidin-4-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[2-[[(2S)-4-methyl-1,4-oxazepan-2-yl]methoxy]pyrimidin-4-yl]methoxy]silane (CID 154608291) is tert-butyl-dimethyl-[[2-[[(2S)-4-methyl-1,4-oxazepan-2-yl]methoxy]pyrimidin-4-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[2-[[(2S)-4-methyl-1,4-oxazepan-2-yl]methoxy]pyrimidin-4-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[2-[[(2S)-4-methyl-1,4-oxazepan-2-yl]methoxy]pyrimidin-4-yl]methoxy]silane is CN1CCCO[C@H](COc2nccc(CO[Si](C)(C)C(C)(C)C)n2)C1.
What is the InChIKey of tert-butyl-dimethyl-[[2-[[(2S)-4-methyl-1,4-oxazepan-2-yl]methoxy]pyrimidin-4-yl]methoxy]silane?
The InChIKey is GNKXOUKXACLUGQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H33N3O3Si/c1-18(2,3)25(5,6)24-13-15-8-9-19-17(20-15)23-14-16-12-21(4)10-7-11-22-16/h8-9,16H,7,10-14H2,1-6H3/t16-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[2-[[(2S)-4-methyl-1,4-oxazepan-2-yl]methoxy]pyrimidin-4-yl]methoxy]silane?
tert-butyl-dimethyl-[[2-[[(2S)-4-methyl-1,4-oxazepan-2-yl]methoxy]pyrimidin-4-yl]methoxy]silane has a molecular weight of 367.57 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[2-[[(2S)-4-methyl-1,4-oxazepan-2-yl]methoxy]pyrimidin-4-yl]methoxy]silane is sourced from PubChem (CID 154608291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).