tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate

C19H38O5Si — CID 73323587

IUPACtert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate
SMILESCCC(C)C(OC(=O)C(C)O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C19H38O5Si/c1-12-13(2)15(17(21)23-18(4,5)6)22-16(20)14(3)24-25(10,11)19(7,8)9/h13-15H,12H2,1-11H3
InChIKeyTXFCTNAJRVIEOP-UHFFFAOYSA-N
MW374.59 g/mol
LogP4.70
Rot. Bonds7

About tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate

tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate (PubChem CID 73323587) has the molecular formula C19H38O5Si and a molecular weight of 374.59 g/mol. Its IUPAC name is tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate.

Molecular Properties

Compound Nametert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate
PubChem CID73323587
Molecular FormulaC19H38O5Si
Molecular Weight374.59 g/mol
Exact Mass374.25
IUPAC Nametert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate
SMILESCCC(C)C(OC(=O)C(C)O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C19H38O5Si/c1-12-13(2)15(17(21)23-18(4,5)6)22-16(20)14(3)24-25(10,11)19(7,8)9/h13-15H,12H2,1-11H3
InChIKeyTXFCTNAJRVIEOP-UHFFFAOYSA-N
XLogP4.70
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.59
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate?
The IUPAC name of tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate (CID 73323587) is tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate.
What is the SMILES notation for tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate?
The canonical SMILES for tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate is CCC(C)C(OC(=O)C(C)O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate?
The InChIKey is TXFCTNAJRVIEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O5Si/c1-12-13(2)15(17(21)23-18(4,5)6)22-16(20)14(3)24-25(10,11)19(7,8)9/h13-15H,12H2,1-11H3.
What are the key properties of tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate?
tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate has a molecular weight of 374.59 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate is sourced from PubChem (CID 73323587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).