4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4,5-dimethyl-1,3-dioxolan-2-one

C14H26O4Si — CID 155607214

IUPAC4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4,5-dimethyl-1,3-dioxolan-2-one
SMILESCC1OC(=O)OC1(C)OC/C=C/[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O4Si/c1-11-14(5,18-12(15)17-11)16-9-8-10-19(6,7)13(2,3)4/h8,10-11H,9H2,1-7H3/b10-8+
InChIKeyPFQKMBOSHSCQAT-CSKARUKUSA-N
MW286.44 g/mol
LogP3.88
Rot. Bonds4

About 4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4,5-dimethyl-1,3-dioxolan-2-one

4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4,5-dimethyl-1,3-dioxolan-2-one (PubChem CID 155607214) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is 4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4,5-dimethyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4,5-dimethyl-1,3-dioxolan-2-one
PubChem CID155607214
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4,5-dimethyl-1,3-dioxolan-2-one
SMILESCC1OC(=O)OC1(C)OC/C=C/[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O4Si/c1-11-14(5,18-12(15)17-11)16-9-8-10-19(6,7)13(2,3)4/h8,10-11H,9H2,1-7H3/b10-8+
InChIKeyPFQKMBOSHSCQAT-CSKARUKUSA-N
XLogP3.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4,5-dimethyl-1,3-dioxolan-2-one?
The IUPAC name of 4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4,5-dimethyl-1,3-dioxolan-2-one (CID 155607214) is 4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4,5-dimethyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4,5-dimethyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4,5-dimethyl-1,3-dioxolan-2-one is CC1OC(=O)OC1(C)OC/C=C/[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4,5-dimethyl-1,3-dioxolan-2-one?
The InChIKey is PFQKMBOSHSCQAT-CSKARUKUSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-11-14(5,18-12(15)17-11)16-9-8-10-19(6,7)13(2,3)4/h8,10-11H,9H2,1-7H3/b10-8+.
What are the key properties of 4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4,5-dimethyl-1,3-dioxolan-2-one?
4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4,5-dimethyl-1,3-dioxolan-2-one has a molecular weight of 286.44 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-[tert-butyl(dimethyl)silyl]prop-2-enoxy]-4,5-dimethyl-1,3-dioxolan-2-one is sourced from PubChem (CID 155607214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).