4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-ynyl-trimethylsilane

C12H22O2Si — CID 135009294

IUPAC4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-ynyl-trimethylsilane
SMILESCC1(C)OC[C@H](CCC#C[Si](C)(C)C)O1
InChIInChI=1S/C12H22O2Si/c1-12(2)13-10-11(14-12)8-6-7-9-15(3,4)5/h11H,6,8,10H2,1-5H3/t11-/m0/s1
InChIKeyOTMGSESBVPXSKE-NSHDSACASA-N
MW226.39 g/mol
LogP2.80
Rot. Bonds2

About 4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-ynyl-trimethylsilane

4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-ynyl-trimethylsilane (PubChem CID 135009294) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is 4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-ynyl-trimethylsilane
PubChem CID135009294
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-ynyl-trimethylsilane
SMILESCC1(C)OC[C@H](CCC#C[Si](C)(C)C)O1
InChIInChI=1S/C12H22O2Si/c1-12(2)13-10-11(14-12)8-6-7-9-15(3,4)5/h11H,6,8,10H2,1-5H3/t11-/m0/s1
InChIKeyOTMGSESBVPXSKE-NSHDSACASA-N
XLogP2.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-ynyl-trimethylsilane?
The IUPAC name of 4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-ynyl-trimethylsilane (CID 135009294) is 4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-ynyl-trimethylsilane.
What is the SMILES notation for 4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-ynyl-trimethylsilane?
The canonical SMILES for 4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-ynyl-trimethylsilane is CC1(C)OC[C@H](CCC#C[Si](C)(C)C)O1.
What is the InChIKey of 4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-ynyl-trimethylsilane?
The InChIKey is OTMGSESBVPXSKE-NSHDSACASA-N. The full InChI is InChI=1S/C12H22O2Si/c1-12(2)13-10-11(14-12)8-6-7-9-15(3,4)5/h11H,6,8,10H2,1-5H3/t11-/m0/s1.
What are the key properties of 4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-ynyl-trimethylsilane?
4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-ynyl-trimethylsilane has a molecular weight of 226.39 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-ynyl-trimethylsilane is sourced from PubChem (CID 135009294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).