2-[[(2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-yl]oxymethoxy]ethyl-trimethylsilane

C15H28O5Si — CID 135078628

IUPAC2-[[(2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-yl]oxymethoxy]ethyl-trimethylsilane
SMILESCC1(C)OC[C@@H]([C@@H]2OC=C[C@@H]2OCOCC[Si](C)(C)C)O1
InChIInChI=1S/C15H28O5Si/c1-15(2)19-10-13(20-15)14-12(6-7-17-14)18-11-16-8-9-21(3,4)5/h6-7,12-14H,8-11H2,1-5H3/t12-,13-,14+/m0/s1
InChIKeyVWHGCZQHGZNUPL-MELADBBJSA-N
MW316.47 g/mol
LogP2.75
Rot. Bonds7

About 2-[[(2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-yl]oxymethoxy]ethyl-trimethylsilane

2-[[(2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-yl]oxymethoxy]ethyl-trimethylsilane (PubChem CID 135078628) has the molecular formula C15H28O5Si and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-[[(2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-yl]oxymethoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[(2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-yl]oxymethoxy]ethyl-trimethylsilane
PubChem CID135078628
Molecular FormulaC15H28O5Si
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name2-[[(2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-yl]oxymethoxy]ethyl-trimethylsilane
SMILESCC1(C)OC[C@@H]([C@@H]2OC=C[C@@H]2OCOCC[Si](C)(C)C)O1
InChIInChI=1S/C15H28O5Si/c1-15(2)19-10-13(20-15)14-12(6-7-17-14)18-11-16-8-9-21(3,4)5/h6-7,12-14H,8-11H2,1-5H3/t12-,13-,14+/m0/s1
InChIKeyVWHGCZQHGZNUPL-MELADBBJSA-N
XLogP2.75
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.75
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-yl]oxymethoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[(2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-yl]oxymethoxy]ethyl-trimethylsilane (CID 135078628) is 2-[[(2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-yl]oxymethoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[(2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-yl]oxymethoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[(2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-yl]oxymethoxy]ethyl-trimethylsilane is CC1(C)OC[C@@H]([C@@H]2OC=C[C@@H]2OCOCC[Si](C)(C)C)O1.
What is the InChIKey of 2-[[(2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-yl]oxymethoxy]ethyl-trimethylsilane?
The InChIKey is VWHGCZQHGZNUPL-MELADBBJSA-N. The full InChI is InChI=1S/C15H28O5Si/c1-15(2)19-10-13(20-15)14-12(6-7-17-14)18-11-16-8-9-21(3,4)5/h6-7,12-14H,8-11H2,1-5H3/t12-,13-,14+/m0/s1.
What are the key properties of 2-[[(2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-yl]oxymethoxy]ethyl-trimethylsilane?
2-[[(2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-yl]oxymethoxy]ethyl-trimethylsilane has a molecular weight of 316.47 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-yl]oxymethoxy]ethyl-trimethylsilane is sourced from PubChem (CID 135078628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).