methyl (3E)-2-[(2-methylpropan-2-yl)oxy]-3-(trimethylsilylmethylidene)hex-5-enoate

C15H28O3Si — CID 10446614

IUPACmethyl (3E)-2-[(2-methylpropan-2-yl)oxy]-3-(trimethylsilylmethylidene)hex-5-enoate
SMILESC=CC/C(=C\[Si](C)(C)C)C(OC(C)(C)C)C(=O)OC
InChIInChI=1S/C15H28O3Si/c1-9-10-12(11-19(6,7)8)13(14(16)17-5)18-15(2,3)4/h9,11,13H,1,10H2,2-8H3/b12-11+
InChIKeyPKLQCLPEEVDRSZ-VAWYXSNFSA-N
MW284.47 g/mol
LogP3.72
Rot. Bonds6

About methyl (3E)-2-[(2-methylpropan-2-yl)oxy]-3-(trimethylsilylmethylidene)hex-5-enoate

methyl (3E)-2-[(2-methylpropan-2-yl)oxy]-3-(trimethylsilylmethylidene)hex-5-enoate (PubChem CID 10446614) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is methyl (3E)-2-[(2-methylpropan-2-yl)oxy]-3-(trimethylsilylmethylidene)hex-5-enoate.

Molecular Properties

Compound Namemethyl (3E)-2-[(2-methylpropan-2-yl)oxy]-3-(trimethylsilylmethylidene)hex-5-enoate
PubChem CID10446614
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Namemethyl (3E)-2-[(2-methylpropan-2-yl)oxy]-3-(trimethylsilylmethylidene)hex-5-enoate
SMILESC=CC/C(=C\[Si](C)(C)C)C(OC(C)(C)C)C(=O)OC
InChIInChI=1S/C15H28O3Si/c1-9-10-12(11-19(6,7)8)13(14(16)17-5)18-15(2,3)4/h9,11,13H,1,10H2,2-8H3/b12-11+
InChIKeyPKLQCLPEEVDRSZ-VAWYXSNFSA-N
XLogP3.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (3E)-2-[(2-methylpropan-2-yl)oxy]-3-(trimethylsilylmethylidene)hex-5-enoate?
The IUPAC name of methyl (3E)-2-[(2-methylpropan-2-yl)oxy]-3-(trimethylsilylmethylidene)hex-5-enoate (CID 10446614) is methyl (3E)-2-[(2-methylpropan-2-yl)oxy]-3-(trimethylsilylmethylidene)hex-5-enoate.
What is the SMILES notation for methyl (3E)-2-[(2-methylpropan-2-yl)oxy]-3-(trimethylsilylmethylidene)hex-5-enoate?
The canonical SMILES for methyl (3E)-2-[(2-methylpropan-2-yl)oxy]-3-(trimethylsilylmethylidene)hex-5-enoate is C=CC/C(=C\[Si](C)(C)C)C(OC(C)(C)C)C(=O)OC.
What is the InChIKey of methyl (3E)-2-[(2-methylpropan-2-yl)oxy]-3-(trimethylsilylmethylidene)hex-5-enoate?
The InChIKey is PKLQCLPEEVDRSZ-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-9-10-12(11-19(6,7)8)13(14(16)17-5)18-15(2,3)4/h9,11,13H,1,10H2,2-8H3/b12-11+.
What are the key properties of methyl (3E)-2-[(2-methylpropan-2-yl)oxy]-3-(trimethylsilylmethylidene)hex-5-enoate?
methyl (3E)-2-[(2-methylpropan-2-yl)oxy]-3-(trimethylsilylmethylidene)hex-5-enoate has a molecular weight of 284.47 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3E)-2-[(2-methylpropan-2-yl)oxy]-3-(trimethylsilylmethylidene)hex-5-enoate is sourced from PubChem (CID 10446614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).