tert-butyl-[(1S)-3-(1,3-dioxolan-2-yl)-1-[(5S)-2-methyl-5-propan-2-ylcyclopenten-1-yl]propoxy]-dimethylsilane

C21H40O3Si — CID 99772050

IUPACtert-butyl-[(1S)-3-(1,3-dioxolan-2-yl)-1-[(5S)-2-methyl-5-propan-2-ylcyclopenten-1-yl]propoxy]-dimethylsilane
SMILESCC1=C([C@H](CCC2OCCO2)O[Si](C)(C)C(C)(C)C)[C@H](C(C)C)CC1
InChIInChI=1S/C21H40O3Si/c1-15(2)17-10-9-16(3)20(17)18(11-12-19-22-13-14-23-19)24-25(7,8)21(4,5)6/h15,17-19H,9-14H2,1-8H3/t17-,18-/m0/s1
InChIKeyXYVSSJFSHUZBKD-ROUUACIJSA-N
MW368.63 g/mol
LogP5.91
Rot. Bonds7

About tert-butyl-[(1S)-3-(1,3-dioxolan-2-yl)-1-[(5S)-2-methyl-5-propan-2-ylcyclopenten-1-yl]propoxy]-dimethylsilane

tert-butyl-[(1S)-3-(1,3-dioxolan-2-yl)-1-[(5S)-2-methyl-5-propan-2-ylcyclopenten-1-yl]propoxy]-dimethylsilane (PubChem CID 99772050) has the molecular formula C21H40O3Si and a molecular weight of 368.63 g/mol. Its IUPAC name is tert-butyl-[(1S)-3-(1,3-dioxolan-2-yl)-1-[(5S)-2-methyl-5-propan-2-ylcyclopenten-1-yl]propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S)-3-(1,3-dioxolan-2-yl)-1-[(5S)-2-methyl-5-propan-2-ylcyclopenten-1-yl]propoxy]-dimethylsilane
PubChem CID99772050
Molecular FormulaC21H40O3Si
Molecular Weight368.63 g/mol
Exact Mass368.27
IUPAC Nametert-butyl-[(1S)-3-(1,3-dioxolan-2-yl)-1-[(5S)-2-methyl-5-propan-2-ylcyclopenten-1-yl]propoxy]-dimethylsilane
SMILESCC1=C([C@H](CCC2OCCO2)O[Si](C)(C)C(C)(C)C)[C@H](C(C)C)CC1
InChIInChI=1S/C21H40O3Si/c1-15(2)17-10-9-16(3)20(17)18(11-12-19-22-13-14-23-19)24-25(7,8)21(4,5)6/h15,17-19H,9-14H2,1-8H3/t17-,18-/m0/s1
InChIKeyXYVSSJFSHUZBKD-ROUUACIJSA-N
XLogP5.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.63
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S)-3-(1,3-dioxolan-2-yl)-1-[(5S)-2-methyl-5-propan-2-ylcyclopenten-1-yl]propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S)-3-(1,3-dioxolan-2-yl)-1-[(5S)-2-methyl-5-propan-2-ylcyclopenten-1-yl]propoxy]-dimethylsilane (CID 99772050) is tert-butyl-[(1S)-3-(1,3-dioxolan-2-yl)-1-[(5S)-2-methyl-5-propan-2-ylcyclopenten-1-yl]propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S)-3-(1,3-dioxolan-2-yl)-1-[(5S)-2-methyl-5-propan-2-ylcyclopenten-1-yl]propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S)-3-(1,3-dioxolan-2-yl)-1-[(5S)-2-methyl-5-propan-2-ylcyclopenten-1-yl]propoxy]-dimethylsilane is CC1=C([C@H](CCC2OCCO2)O[Si](C)(C)C(C)(C)C)[C@H](C(C)C)CC1.
What is the InChIKey of tert-butyl-[(1S)-3-(1,3-dioxolan-2-yl)-1-[(5S)-2-methyl-5-propan-2-ylcyclopenten-1-yl]propoxy]-dimethylsilane?
The InChIKey is XYVSSJFSHUZBKD-ROUUACIJSA-N. The full InChI is InChI=1S/C21H40O3Si/c1-15(2)17-10-9-16(3)20(17)18(11-12-19-22-13-14-23-19)24-25(7,8)21(4,5)6/h15,17-19H,9-14H2,1-8H3/t17-,18-/m0/s1.
What are the key properties of tert-butyl-[(1S)-3-(1,3-dioxolan-2-yl)-1-[(5S)-2-methyl-5-propan-2-ylcyclopenten-1-yl]propoxy]-dimethylsilane?
tert-butyl-[(1S)-3-(1,3-dioxolan-2-yl)-1-[(5S)-2-methyl-5-propan-2-ylcyclopenten-1-yl]propoxy]-dimethylsilane has a molecular weight of 368.63 g/mol, XLogP of 5.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S)-3-(1,3-dioxolan-2-yl)-1-[(5S)-2-methyl-5-propan-2-ylcyclopenten-1-yl]propoxy]-dimethylsilane is sourced from PubChem (CID 99772050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).