tert-butyl-[(2S,4S)-4-(methoxymethoxy)hept-6-en-2-yl]oxy-dimethylsilane

C15H32O3Si — CID 46218224

IUPACtert-butyl-[(2S,4S)-4-(methoxymethoxy)hept-6-en-2-yl]oxy-dimethylsilane
SMILESC=CC[C@@H](C[C@H](C)O[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C15H32O3Si/c1-9-10-14(17-12-16-6)11-13(2)18-19(7,8)15(3,4)5/h9,13-14H,1,10-12H2,2-8H3/t13-,14-/m0/s1
InChIKeyDCLPIYGKABUWEZ-KBPBESRZSA-N
MW288.50 g/mol
LogP4.35
Rot. Bonds9

About tert-butyl-[(2S,4S)-4-(methoxymethoxy)hept-6-en-2-yl]oxy-dimethylsilane

tert-butyl-[(2S,4S)-4-(methoxymethoxy)hept-6-en-2-yl]oxy-dimethylsilane (PubChem CID 46218224) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is tert-butyl-[(2S,4S)-4-(methoxymethoxy)hept-6-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,4S)-4-(methoxymethoxy)hept-6-en-2-yl]oxy-dimethylsilane
PubChem CID46218224
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Nametert-butyl-[(2S,4S)-4-(methoxymethoxy)hept-6-en-2-yl]oxy-dimethylsilane
SMILESC=CC[C@@H](C[C@H](C)O[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C15H32O3Si/c1-9-10-14(17-12-16-6)11-13(2)18-19(7,8)15(3,4)5/h9,13-14H,1,10-12H2,2-8H3/t13-,14-/m0/s1
InChIKeyDCLPIYGKABUWEZ-KBPBESRZSA-N
XLogP4.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[(2S,4S)-4-(methoxymethoxy)hept-6-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,4S)-4-(methoxymethoxy)hept-6-en-2-yl]oxy-dimethylsilane (CID 46218224) is tert-butyl-[(2S,4S)-4-(methoxymethoxy)hept-6-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,4S)-4-(methoxymethoxy)hept-6-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,4S)-4-(methoxymethoxy)hept-6-en-2-yl]oxy-dimethylsilane is C=CC[C@@H](C[C@H](C)O[Si](C)(C)C(C)(C)C)OCOC.
What is the InChIKey of tert-butyl-[(2S,4S)-4-(methoxymethoxy)hept-6-en-2-yl]oxy-dimethylsilane?
The InChIKey is DCLPIYGKABUWEZ-KBPBESRZSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-9-10-14(17-12-16-6)11-13(2)18-19(7,8)15(3,4)5/h9,13-14H,1,10-12H2,2-8H3/t13-,14-/m0/s1.
What are the key properties of tert-butyl-[(2S,4S)-4-(methoxymethoxy)hept-6-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(2S,4S)-4-(methoxymethoxy)hept-6-en-2-yl]oxy-dimethylsilane has a molecular weight of 288.50 g/mol, XLogP of 4.35, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,4S)-4-(methoxymethoxy)hept-6-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 46218224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).