prop-2-enyl 7-[tert-butyl(dimethyl)silyl]oxy-3-oxooctanoate

C17H32O4Si — CID 72630452

IUPACprop-2-enyl 7-[tert-butyl(dimethyl)silyl]oxy-3-oxooctanoate
SMILESC=CCOC(=O)CC(=O)CCCC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O4Si/c1-8-12-20-16(19)13-15(18)11-9-10-14(2)21-22(6,7)17(3,4)5/h8,14H,1,9-13H2,2-7H3
InChIKeyKOWZIQSDSYJCQY-UHFFFAOYSA-N
MW328.53 g/mol
LogP4.26
Rot. Bonds10

About prop-2-enyl 7-[tert-butyl(dimethyl)silyl]oxy-3-oxooctanoate

prop-2-enyl 7-[tert-butyl(dimethyl)silyl]oxy-3-oxooctanoate (PubChem CID 72630452) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is prop-2-enyl 7-[tert-butyl(dimethyl)silyl]oxy-3-oxooctanoate.

Molecular Properties

Compound Nameprop-2-enyl 7-[tert-butyl(dimethyl)silyl]oxy-3-oxooctanoate
PubChem CID72630452
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Nameprop-2-enyl 7-[tert-butyl(dimethyl)silyl]oxy-3-oxooctanoate
SMILESC=CCOC(=O)CC(=O)CCCC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O4Si/c1-8-12-20-16(19)13-15(18)11-9-10-14(2)21-22(6,7)17(3,4)5/h8,14H,1,9-13H2,2-7H3
InChIKeyKOWZIQSDSYJCQY-UHFFFAOYSA-N
XLogP4.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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 prop-2-enyl 7-[tert-butyl(dimethyl)silyl]oxy-3-oxooctanoate?
The IUPAC name of prop-2-enyl 7-[tert-butyl(dimethyl)silyl]oxy-3-oxooctanoate (CID 72630452) is prop-2-enyl 7-[tert-butyl(dimethyl)silyl]oxy-3-oxooctanoate.
What is the SMILES notation for prop-2-enyl 7-[tert-butyl(dimethyl)silyl]oxy-3-oxooctanoate?
The canonical SMILES for prop-2-enyl 7-[tert-butyl(dimethyl)silyl]oxy-3-oxooctanoate is C=CCOC(=O)CC(=O)CCCC(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of prop-2-enyl 7-[tert-butyl(dimethyl)silyl]oxy-3-oxooctanoate?
The InChIKey is KOWZIQSDSYJCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-8-12-20-16(19)13-15(18)11-9-10-14(2)21-22(6,7)17(3,4)5/h8,14H,1,9-13H2,2-7H3.
What are the key properties of prop-2-enyl 7-[tert-butyl(dimethyl)silyl]oxy-3-oxooctanoate?
prop-2-enyl 7-[tert-butyl(dimethyl)silyl]oxy-3-oxooctanoate has a molecular weight of 328.53 g/mol, XLogP of 4.26, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 7-[tert-butyl(dimethyl)silyl]oxy-3-oxooctanoate is sourced from PubChem (CID 72630452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).