3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-ynyl-trimethylsilane

C13H22O2Si — CID 10586049

IUPAC3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-ynyl-trimethylsilane
SMILESC=C[C@@H]1OC(C)(C)O[C@H]1CC#C[Si](C)(C)C
InChIInChI=1S/C13H22O2Si/c1-7-11-12(15-13(2,3)14-11)9-8-10-16(4,5)6/h7,11-12H,1,9H2,2-6H3/t11-,12-/m0/s1
InChIKeyPQQGVZPIIRNVLZ-RYUDHWBXSA-N
MW238.40 g/mol
LogP2.96
Rot. Bonds2

About 3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-ynyl-trimethylsilane

3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-ynyl-trimethylsilane (PubChem CID 10586049) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is 3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-ynyl-trimethylsilane
PubChem CID10586049
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-ynyl-trimethylsilane
SMILESC=C[C@@H]1OC(C)(C)O[C@H]1CC#C[Si](C)(C)C
InChIInChI=1S/C13H22O2Si/c1-7-11-12(15-13(2,3)14-11)9-8-10-16(4,5)6/h7,11-12H,1,9H2,2-6H3/t11-,12-/m0/s1
InChIKeyPQQGVZPIIRNVLZ-RYUDHWBXSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-ynyl-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane
CID 10990553
tert-butyl-[[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 13846571
tert-butyl-[(1S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-dimethylsilane
CID 14188258
tert-butyl-[[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 49793489
[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]-triethylsilane
CID 134851327
triethyl-[(1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]silane
CID 134862159
(4S,5R)-4-but-3-ynyl-5-ethenyl-2,2-dimethyl-1,3-dioxolane
CID 139249347
(4S,5S)-4-ethenyl-5-hept-2-ynyl-2,2-dimethyl-1,3-dioxolane
CID 10727751
2-[(4R,5S)-5-[(E)-2-chloroethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane
CID 11565134
2-[(4R,5R)-5-[(E)-2-chloroethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane
CID 11601328
tert-butyl-[[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 11043922
tert-butyl-[[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 90075137

Frequently Asked Questions

What is the IUPAC name of 3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-ynyl-trimethylsilane?
The IUPAC name of 3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-ynyl-trimethylsilane (CID 10586049) is 3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-ynyl-trimethylsilane.
What is the SMILES notation for 3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-ynyl-trimethylsilane?
The canonical SMILES for 3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-ynyl-trimethylsilane is C=C[C@@H]1OC(C)(C)O[C@H]1CC#C[Si](C)(C)C.
What is the InChIKey of 3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-ynyl-trimethylsilane?
The InChIKey is PQQGVZPIIRNVLZ-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-7-11-12(15-13(2,3)14-11)9-8-10-16(4,5)6/h7,11-12H,1,9H2,2-6H3/t11-,12-/m0/s1.
What are the key properties of 3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-ynyl-trimethylsilane?
3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-ynyl-trimethylsilane has a molecular weight of 238.40 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-ynyl-trimethylsilane is sourced from PubChem (CID 10586049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).