ethyl (2S)-2-[2-methylbut-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate

C16H32O4Si — CID 45100852

IUPACethyl (2S)-2-[2-methylbut-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate
SMILESC=CC(C)(C)O[Si](O[C@@H](C)C(=O)OCC)(C(C)C)C(C)C
InChIInChI=1S/C16H32O4Si/c1-10-16(8,9)20-21(12(3)4,13(5)6)19-14(7)15(17)18-11-2/h10,12-14H,1,11H2,2-9H3/t14-/m0/s1
InChIKeyZMNBJOZHHHJLMG-AWEZNQCLSA-N
MW316.51 g/mol
LogP4.20
Rot. Bonds9

About ethyl (2S)-2-[2-methylbut-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate

ethyl (2S)-2-[2-methylbut-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate (PubChem CID 45100852) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is ethyl (2S)-2-[2-methylbut-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[2-methylbut-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate
PubChem CID45100852
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Nameethyl (2S)-2-[2-methylbut-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate
SMILESC=CC(C)(C)O[Si](O[C@@H](C)C(=O)OCC)(C(C)C)C(C)C
InChIInChI=1S/C16H32O4Si/c1-10-16(8,9)20-21(12(3)4,13(5)6)19-14(7)15(17)18-11-2/h10,12-14H,1,11H2,2-9H3/t14-/m0/s1
InChIKeyZMNBJOZHHHJLMG-AWEZNQCLSA-N
XLogP4.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-2-[but-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate
CID 45100767
ethyl (2S)-2-[hexa-1,5-dien-3-yloxy-di(propan-2-yl)silyl]oxypropanoate
CID 45100851
ethyl (2S)-2-[di(propan-2-yl)-prop-2-enoxysilyl]oxypropanoate
CID 45101788

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[2-methylbut-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate?
The IUPAC name of ethyl (2S)-2-[2-methylbut-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate (CID 45100852) is ethyl (2S)-2-[2-methylbut-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate.
What is the SMILES notation for ethyl (2S)-2-[2-methylbut-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate?
The canonical SMILES for ethyl (2S)-2-[2-methylbut-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate is C=CC(C)(C)O[Si](O[C@@H](C)C(=O)OCC)(C(C)C)C(C)C.
What is the InChIKey of ethyl (2S)-2-[2-methylbut-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate?
The InChIKey is ZMNBJOZHHHJLMG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-10-16(8,9)20-21(12(3)4,13(5)6)19-14(7)15(17)18-11-2/h10,12-14H,1,11H2,2-9H3/t14-/m0/s1.
What are the key properties of ethyl (2S)-2-[2-methylbut-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate?
ethyl (2S)-2-[2-methylbut-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate has a molecular weight of 316.51 g/mol, XLogP of 4.20, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[2-methylbut-3-en-2-yloxy-di(propan-2-yl)silyl]oxypropanoate is sourced from PubChem (CID 45100852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).