[(Z)-5-[dimethyl(propan-2-yloxy)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enyl] acetate

C18H35BO5Si — CID 154721161

IUPAC[(Z)-5-[dimethyl(propan-2-yloxy)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enyl] acetate
SMILESCC(=O)OCC/C=C(\C[Si](C)(C)OC(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H35BO5Si/c1-14(2)22-25(8,9)13-16(11-10-12-21-15(3)20)19-23-17(4,5)18(6,7)24-19/h11,14H,10,12-13H2,1-9H3/b16-11+
InChIKeyVSVWCJZONUKZMR-LFIBNONCSA-N
MW370.37 g/mol
LogP4.13
Rot. Bonds8

About [(Z)-5-[dimethyl(propan-2-yloxy)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enyl] acetate

[(Z)-5-[dimethyl(propan-2-yloxy)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enyl] acetate (PubChem CID 154721161) has the molecular formula C18H35BO5Si and a molecular weight of 370.37 g/mol. Its IUPAC name is [(Z)-5-[dimethyl(propan-2-yloxy)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enyl] acetate.

Molecular Properties

Compound Name[(Z)-5-[dimethyl(propan-2-yloxy)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enyl] acetate
PubChem CID154721161
Molecular FormulaC18H35BO5Si
Molecular Weight370.37 g/mol
Exact Mass370.23
IUPAC Name[(Z)-5-[dimethyl(propan-2-yloxy)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enyl] acetate
SMILESCC(=O)OCC/C=C(\C[Si](C)(C)OC(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H35BO5Si/c1-14(2)22-25(8,9)13-16(11-10-12-21-15(3)20)19-23-17(4,5)18(6,7)24-19/h11,14H,10,12-13H2,1-9H3/b16-11+
InChIKeyVSVWCJZONUKZMR-LFIBNONCSA-N
XLogP4.13
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-5-[dimethyl(propan-2-yloxy)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enyl] acetate?
The IUPAC name of [(Z)-5-[dimethyl(propan-2-yloxy)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enyl] acetate (CID 154721161) is [(Z)-5-[dimethyl(propan-2-yloxy)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enyl] acetate.
What is the SMILES notation for [(Z)-5-[dimethyl(propan-2-yloxy)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enyl] acetate?
The canonical SMILES for [(Z)-5-[dimethyl(propan-2-yloxy)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enyl] acetate is CC(=O)OCC/C=C(\C[Si](C)(C)OC(C)C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of [(Z)-5-[dimethyl(propan-2-yloxy)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enyl] acetate?
The InChIKey is VSVWCJZONUKZMR-LFIBNONCSA-N. The full InChI is InChI=1S/C18H35BO5Si/c1-14(2)22-25(8,9)13-16(11-10-12-21-15(3)20)19-23-17(4,5)18(6,7)24-19/h11,14H,10,12-13H2,1-9H3/b16-11+.
What are the key properties of [(Z)-5-[dimethyl(propan-2-yloxy)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enyl] acetate?
[(Z)-5-[dimethyl(propan-2-yloxy)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enyl] acetate has a molecular weight of 370.37 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5-[dimethyl(propan-2-yloxy)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-enyl] acetate is sourced from PubChem (CID 154721161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).