tert-butyl-[(2R,3S)-3-(methoxymethoxy)undecan-2-yl]oxy-dimethylsilane

C19H42O3Si — CID 155935152

IUPACtert-butyl-[(2R,3S)-3-(methoxymethoxy)undecan-2-yl]oxy-dimethylsilane
SMILESCCCCCCCC[C@H](OCOC)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O3Si/c1-9-10-11-12-13-14-15-18(21-16-20-6)17(2)22-23(7,8)19(3,4)5/h17-18H,9-16H2,1-8H3/t17-,18+/m1/s1
InChIKeyNDEMZQUZQCRQCK-MSOLQXFVSA-N
MW346.63 g/mol
LogP6.14
Rot. Bonds13

About tert-butyl-[(2R,3S)-3-(methoxymethoxy)undecan-2-yl]oxy-dimethylsilane

tert-butyl-[(2R,3S)-3-(methoxymethoxy)undecan-2-yl]oxy-dimethylsilane (PubChem CID 155935152) has the molecular formula C19H42O3Si and a molecular weight of 346.63 g/mol. Its IUPAC name is tert-butyl-[(2R,3S)-3-(methoxymethoxy)undecan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3S)-3-(methoxymethoxy)undecan-2-yl]oxy-dimethylsilane
PubChem CID155935152
Molecular FormulaC19H42O3Si
Molecular Weight346.63 g/mol
Exact Mass346.29
IUPAC Nametert-butyl-[(2R,3S)-3-(methoxymethoxy)undecan-2-yl]oxy-dimethylsilane
SMILESCCCCCCCC[C@H](OCOC)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O3Si/c1-9-10-11-12-13-14-15-18(21-16-20-6)17(2)22-23(7,8)19(3,4)5/h17-18H,9-16H2,1-8H3/t17-,18+/m1/s1
InChIKeyNDEMZQUZQCRQCK-MSOLQXFVSA-N
XLogP6.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.63
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3S)-3-(methoxymethoxy)undecan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3S)-3-(methoxymethoxy)undecan-2-yl]oxy-dimethylsilane (CID 155935152) is tert-butyl-[(2R,3S)-3-(methoxymethoxy)undecan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3S)-3-(methoxymethoxy)undecan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3S)-3-(methoxymethoxy)undecan-2-yl]oxy-dimethylsilane is CCCCCCCC[C@H](OCOC)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3S)-3-(methoxymethoxy)undecan-2-yl]oxy-dimethylsilane?
The InChIKey is NDEMZQUZQCRQCK-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H42O3Si/c1-9-10-11-12-13-14-15-18(21-16-20-6)17(2)22-23(7,8)19(3,4)5/h17-18H,9-16H2,1-8H3/t17-,18+/m1/s1.
What are the key properties of tert-butyl-[(2R,3S)-3-(methoxymethoxy)undecan-2-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3S)-3-(methoxymethoxy)undecan-2-yl]oxy-dimethylsilane has a molecular weight of 346.63 g/mol, XLogP of 6.14, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3S)-3-(methoxymethoxy)undecan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 155935152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).