tert-butyl-[(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl]oxy-dimethylsilane

C16H34O4Si — CID 24823220

IUPACtert-butyl-[(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl]oxy-dimethylsilane
SMILESC=C[C@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)OCOCCOC
InChIInChI=1S/C16H34O4Si/c1-9-15(19-13-18-11-10-17-6)12-14(2)20-21(7,8)16(3,4)5/h9,14-15H,1,10-13H2,2-8H3/t14-,15-/m1/s1
InChIKeyMHWYNUHEKFAKSW-HUUCEWRRSA-N
MW318.53 g/mol
LogP3.98
Rot. Bonds11

About tert-butyl-[(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl]oxy-dimethylsilane

tert-butyl-[(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl]oxy-dimethylsilane (PubChem CID 24823220) has the molecular formula C16H34O4Si and a molecular weight of 318.53 g/mol. Its IUPAC name is tert-butyl-[(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl]oxy-dimethylsilane
PubChem CID24823220
Molecular FormulaC16H34O4Si
Molecular Weight318.53 g/mol
Exact Mass318.22
IUPAC Nametert-butyl-[(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl]oxy-dimethylsilane
SMILESC=C[C@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)OCOCCOC
InChIInChI=1S/C16H34O4Si/c1-9-15(19-13-18-11-10-17-6)12-14(2)20-21(7,8)16(3,4)5/h9,14-15H,1,10-13H2,2-8H3/t14-,15-/m1/s1
InChIKeyMHWYNUHEKFAKSW-HUUCEWRRSA-N
XLogP3.98
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl]oxy-dimethylsilane (CID 24823220) is tert-butyl-[(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl]oxy-dimethylsilane is C=C[C@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)OCOCCOC.
What is the InChIKey of tert-butyl-[(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl]oxy-dimethylsilane?
The InChIKey is MHWYNUHEKFAKSW-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H34O4Si/c1-9-15(19-13-18-11-10-17-6)12-14(2)20-21(7,8)16(3,4)5/h9,14-15H,1,10-13H2,2-8H3/t14-,15-/m1/s1.
What are the key properties of tert-butyl-[(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl]oxy-dimethylsilane has a molecular weight of 318.53 g/mol, XLogP of 3.98, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 24823220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).