tert-butyl-[(1R,2S)-2-[(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enyl]cyclopropyl]oxy-dimethylsilane

C17H32O3Si — CID 134970763

IUPACtert-butyl-[(1R,2S)-2-[(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enyl]cyclopropyl]oxy-dimethylsilane
SMILESCC1(C)OCC(/C=C/C[C@H]2C[C@H]2O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H32O3Si/c1-16(2,3)21(6,7)20-15-11-13(15)9-8-10-14-12-18-17(4,5)19-14/h8,10,13-15H,9,11-12H2,1-7H3/b10-8+/t13-,14?,15+/m0/s1
InChIKeyLLFHQWOLRCNYHK-TWYWXDDJSA-N
MW312.53 g/mol
LogP4.49
Rot. Bonds5

About tert-butyl-[(1R,2S)-2-[(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enyl]cyclopropyl]oxy-dimethylsilane

tert-butyl-[(1R,2S)-2-[(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enyl]cyclopropyl]oxy-dimethylsilane (PubChem CID 134970763) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is tert-butyl-[(1R,2S)-2-[(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enyl]cyclopropyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2S)-2-[(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enyl]cyclopropyl]oxy-dimethylsilane
PubChem CID134970763
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Nametert-butyl-[(1R,2S)-2-[(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enyl]cyclopropyl]oxy-dimethylsilane
SMILESCC1(C)OCC(/C=C/C[C@H]2C[C@H]2O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C17H32O3Si/c1-16(2,3)21(6,7)20-15-11-13(15)9-8-10-14-12-18-17(4,5)19-14/h8,10,13-15H,9,11-12H2,1-7H3/b10-8+/t13-,14?,15+/m0/s1
InChIKeyLLFHQWOLRCNYHK-TWYWXDDJSA-N
XLogP4.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.49
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-[(1R,2S)-2-[(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enyl]cyclopropyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2S)-2-[(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enyl]cyclopropyl]oxy-dimethylsilane (CID 134970763) is tert-butyl-[(1R,2S)-2-[(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enyl]cyclopropyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2S)-2-[(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enyl]cyclopropyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2S)-2-[(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enyl]cyclopropyl]oxy-dimethylsilane is CC1(C)OCC(/C=C/C[C@H]2C[C@H]2O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[(1R,2S)-2-[(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enyl]cyclopropyl]oxy-dimethylsilane?
The InChIKey is LLFHQWOLRCNYHK-TWYWXDDJSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-16(2,3)21(6,7)20-15-11-13(15)9-8-10-14-12-18-17(4,5)19-14/h8,10,13-15H,9,11-12H2,1-7H3/b10-8+/t13-,14?,15+/m0/s1.
What are the key properties of tert-butyl-[(1R,2S)-2-[(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enyl]cyclopropyl]oxy-dimethylsilane?
tert-butyl-[(1R,2S)-2-[(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enyl]cyclopropyl]oxy-dimethylsilane has a molecular weight of 312.53 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2S)-2-[(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enyl]cyclopropyl]oxy-dimethylsilane is sourced from PubChem (CID 134970763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).