tert-butyl-[(4S,6S)-6-(methoxymethoxy)undec-1-en-4-yl]oxy-dimethylsilane

C19H40O3Si — CID 57326345

IUPACtert-butyl-[(4S,6S)-6-(methoxymethoxy)undec-1-en-4-yl]oxy-dimethylsilane
SMILESC=CC[C@@H](C[C@H](CCCCC)OCOC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O3Si/c1-9-11-12-14-17(21-16-20-6)15-18(13-10-2)22-23(7,8)19(3,4)5/h10,17-18H,2,9,11-16H2,1,3-8H3/t17-,18-/m0/s1
InChIKeyPPMYGYDLXOBWFH-ROUUACIJSA-N
MW344.61 g/mol
LogP5.91
Rot. Bonds13

About tert-butyl-[(4S,6S)-6-(methoxymethoxy)undec-1-en-4-yl]oxy-dimethylsilane

tert-butyl-[(4S,6S)-6-(methoxymethoxy)undec-1-en-4-yl]oxy-dimethylsilane (PubChem CID 57326345) has the molecular formula C19H40O3Si and a molecular weight of 344.61 g/mol. Its IUPAC name is tert-butyl-[(4S,6S)-6-(methoxymethoxy)undec-1-en-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4S,6S)-6-(methoxymethoxy)undec-1-en-4-yl]oxy-dimethylsilane
PubChem CID57326345
Molecular FormulaC19H40O3Si
Molecular Weight344.61 g/mol
Exact Mass344.27
IUPAC Nametert-butyl-[(4S,6S)-6-(methoxymethoxy)undec-1-en-4-yl]oxy-dimethylsilane
SMILESC=CC[C@@H](C[C@H](CCCCC)OCOC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O3Si/c1-9-11-12-14-17(21-16-20-6)15-18(13-10-2)22-23(7,8)19(3,4)5/h10,17-18H,2,9,11-16H2,1,3-8H3/t17-,18-/m0/s1
InChIKeyPPMYGYDLXOBWFH-ROUUACIJSA-N
XLogP5.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.61
LogP ≤ 55.91
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4S,6S)-6-(methoxymethoxy)undec-1-en-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(4S,6S)-6-(methoxymethoxy)undec-1-en-4-yl]oxy-dimethylsilane (CID 57326345) is tert-butyl-[(4S,6S)-6-(methoxymethoxy)undec-1-en-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4S,6S)-6-(methoxymethoxy)undec-1-en-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(4S,6S)-6-(methoxymethoxy)undec-1-en-4-yl]oxy-dimethylsilane is C=CC[C@@H](C[C@H](CCCCC)OCOC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(4S,6S)-6-(methoxymethoxy)undec-1-en-4-yl]oxy-dimethylsilane?
The InChIKey is PPMYGYDLXOBWFH-ROUUACIJSA-N. The full InChI is InChI=1S/C19H40O3Si/c1-9-11-12-14-17(21-16-20-6)15-18(13-10-2)22-23(7,8)19(3,4)5/h10,17-18H,2,9,11-16H2,1,3-8H3/t17-,18-/m0/s1.
What are the key properties of tert-butyl-[(4S,6S)-6-(methoxymethoxy)undec-1-en-4-yl]oxy-dimethylsilane?
tert-butyl-[(4S,6S)-6-(methoxymethoxy)undec-1-en-4-yl]oxy-dimethylsilane has a molecular weight of 344.61 g/mol, XLogP of 5.91, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4S,6S)-6-(methoxymethoxy)undec-1-en-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 57326345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).