2-[[(2R,4S)-2-[(E)-4-(methoxymethoxy)but-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl-trimethylsilane

C17H32O4Si — CID 11163278

IUPAC2-[[(2R,4S)-2-[(E)-4-(methoxymethoxy)but-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl-trimethylsilane
SMILESC=C(C[C@H]1CCO[C@@H](/C=C/CCOCOC)O1)C[Si](C)(C)C
InChIInChI=1S/C17H32O4Si/c1-15(13-22(3,4)5)12-16-9-11-20-17(21-16)8-6-7-10-19-14-18-2/h6,8,16-17H,1,7,9-14H2,2-5H3/b8-6+/t16-,17-/m1/s1
InChIKeyVFUJBCASPQFIRK-WPLBAPSMSA-N
MW328.53 g/mol
LogP3.97
Rot. Bonds10

About 2-[[(2R,4S)-2-[(E)-4-(methoxymethoxy)but-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl-trimethylsilane

2-[[(2R,4S)-2-[(E)-4-(methoxymethoxy)but-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl-trimethylsilane (PubChem CID 11163278) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is 2-[[(2R,4S)-2-[(E)-4-(methoxymethoxy)but-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl-trimethylsilane.

Molecular Properties

Compound Name2-[[(2R,4S)-2-[(E)-4-(methoxymethoxy)but-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl-trimethylsilane
PubChem CID11163278
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Name2-[[(2R,4S)-2-[(E)-4-(methoxymethoxy)but-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl-trimethylsilane
SMILESC=C(C[C@H]1CCO[C@@H](/C=C/CCOCOC)O1)C[Si](C)(C)C
InChIInChI=1S/C17H32O4Si/c1-15(13-22(3,4)5)12-16-9-11-20-17(21-16)8-6-7-10-19-14-18-2/h6,8,16-17H,1,7,9-14H2,2-5H3/b8-6+/t16-,17-/m1/s1
InChIKeyVFUJBCASPQFIRK-WPLBAPSMSA-N
XLogP3.97
TPSA36.92 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 ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,4S)-2-[(E)-4-(methoxymethoxy)but-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl-trimethylsilane?
The IUPAC name of 2-[[(2R,4S)-2-[(E)-4-(methoxymethoxy)but-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl-trimethylsilane (CID 11163278) is 2-[[(2R,4S)-2-[(E)-4-(methoxymethoxy)but-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl-trimethylsilane.
What is the SMILES notation for 2-[[(2R,4S)-2-[(E)-4-(methoxymethoxy)but-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl-trimethylsilane?
The canonical SMILES for 2-[[(2R,4S)-2-[(E)-4-(methoxymethoxy)but-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl-trimethylsilane is C=C(C[C@H]1CCO[C@@H](/C=C/CCOCOC)O1)C[Si](C)(C)C.
What is the InChIKey of 2-[[(2R,4S)-2-[(E)-4-(methoxymethoxy)but-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl-trimethylsilane?
The InChIKey is VFUJBCASPQFIRK-WPLBAPSMSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-15(13-22(3,4)5)12-16-9-11-20-17(21-16)8-6-7-10-19-14-18-2/h6,8,16-17H,1,7,9-14H2,2-5H3/b8-6+/t16-,17-/m1/s1.
What are the key properties of 2-[[(2R,4S)-2-[(E)-4-(methoxymethoxy)but-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl-trimethylsilane?
2-[[(2R,4S)-2-[(E)-4-(methoxymethoxy)but-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl-trimethylsilane has a molecular weight of 328.53 g/mol, XLogP of 3.97, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,4S)-2-[(E)-4-(methoxymethoxy)but-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl-trimethylsilane is sourced from PubChem (CID 11163278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).