tert-butyl 2-[acetyloxy-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate

C24H44O7Si — CID 173199770

IUPACtert-butyl 2-[acetyloxy-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate
SMILESC=C(C(=O)OC(C)(C)C)C(OC(C)=O)C1OC(CC)(CC)OC1C(O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C24H44O7Si/c1-13-24(14-2)28-18(19(29-24)20(22(5,6)7)31-32(11)12)17(27-16(4)25)15(3)21(26)30-23(8,9)10/h17-20,32H,3,13-14H2,1-2,4-12H3
InChIKeyJUIXRTVZYSWZGP-UHFFFAOYSA-N
MW472.70 g/mol
LogP4.53
Rot. Bonds9

About tert-butyl 2-[acetyloxy-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate

tert-butyl 2-[acetyloxy-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate (PubChem CID 173199770) has the molecular formula C24H44O7Si and a molecular weight of 472.70 g/mol. Its IUPAC name is tert-butyl 2-[acetyloxy-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate.

Molecular Properties

Compound Nametert-butyl 2-[acetyloxy-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate
PubChem CID173199770
Molecular FormulaC24H44O7Si
Molecular Weight472.70 g/mol
Exact Mass472.29
IUPAC Nametert-butyl 2-[acetyloxy-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate
SMILESC=C(C(=O)OC(C)(C)C)C(OC(C)=O)C1OC(CC)(CC)OC1C(O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C24H44O7Si/c1-13-24(14-2)28-18(19(29-24)20(22(5,6)7)31-32(11)12)17(27-16(4)25)15(3)21(26)30-23(8,9)10/h17-20,32H,3,13-14H2,1-2,4-12H3
InChIKeyJUIXRTVZYSWZGP-UHFFFAOYSA-N
XLogP4.53
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.70
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[acetyloxy-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate?
The IUPAC name of tert-butyl 2-[acetyloxy-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate (CID 173199770) is tert-butyl 2-[acetyloxy-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate.
What is the SMILES notation for tert-butyl 2-[acetyloxy-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate?
The canonical SMILES for tert-butyl 2-[acetyloxy-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate is C=C(C(=O)OC(C)(C)C)C(OC(C)=O)C1OC(CC)(CC)OC1C(O[SiH](C)C)C(C)(C)C.
What is the InChIKey of tert-butyl 2-[acetyloxy-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate?
The InChIKey is JUIXRTVZYSWZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O7Si/c1-13-24(14-2)28-18(19(29-24)20(22(5,6)7)31-32(11)12)17(27-16(4)25)15(3)21(26)30-23(8,9)10/h17-20,32H,3,13-14H2,1-2,4-12H3.
What are the key properties of tert-butyl 2-[acetyloxy-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate?
tert-butyl 2-[acetyloxy-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate has a molecular weight of 472.70 g/mol, XLogP of 4.53, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[acetyloxy-[5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate is sourced from PubChem (CID 173199770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).