2-[(4S)-2,2-dimethyl-6,6-bis(prop-2-enyl)-1,3-dioxan-4-yl]ethynyl-trimethylsilane

C17H28O2Si — CID 10732443

IUPAC2-[(4S)-2,2-dimethyl-6,6-bis(prop-2-enyl)-1,3-dioxan-4-yl]ethynyl-trimethylsilane
SMILESC=CCC1(CC=C)C[C@@H](C#C[Si](C)(C)C)OC(C)(C)O1
InChIInChI=1S/C17H28O2Si/c1-8-11-17(12-9-2)14-15(10-13-20(5,6)7)18-16(3,4)19-17/h8-9,15H,1-2,11-12,14H2,3-7H3/t15-/m1/s1
InChIKeyMDRHMZIPRBNHPJ-OAHLLOKOSA-N
MW292.50 g/mol
LogP4.30
Rot. Bonds4

About 2-[(4S)-2,2-dimethyl-6,6-bis(prop-2-enyl)-1,3-dioxan-4-yl]ethynyl-trimethylsilane

2-[(4S)-2,2-dimethyl-6,6-bis(prop-2-enyl)-1,3-dioxan-4-yl]ethynyl-trimethylsilane (PubChem CID 10732443) has the molecular formula C17H28O2Si and a molecular weight of 292.50 g/mol. Its IUPAC name is 2-[(4S)-2,2-dimethyl-6,6-bis(prop-2-enyl)-1,3-dioxan-4-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[(4S)-2,2-dimethyl-6,6-bis(prop-2-enyl)-1,3-dioxan-4-yl]ethynyl-trimethylsilane
PubChem CID10732443
Molecular FormulaC17H28O2Si
Molecular Weight292.50 g/mol
Exact Mass292.19
IUPAC Name2-[(4S)-2,2-dimethyl-6,6-bis(prop-2-enyl)-1,3-dioxan-4-yl]ethynyl-trimethylsilane
SMILESC=CCC1(CC=C)C[C@@H](C#C[Si](C)(C)C)OC(C)(C)O1
InChIInChI=1S/C17H28O2Si/c1-8-11-17(12-9-2)14-15(10-13-20(5,6)7)18-16(3,4)19-17/h8-9,15H,1-2,11-12,14H2,3-7H3/t15-/m1/s1
InChIKeyMDRHMZIPRBNHPJ-OAHLLOKOSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.50
LogP ≤ 54.30
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 2-[(4S)-2,2-dimethyl-6,6-bis(prop-2-enyl)-1,3-dioxan-4-yl]ethynyl-trimethylsilane with MolForge

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Related Compounds

Tert-butyl-dimethyl-[4-methyl-11-(oxan-2-yloxy)undec-1-en-7-yn-4-yl]oxysilane
CID 11326882
tri(propan-2-yl)-[(1R)-1-[(4R,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane
CID 10498503
[(1S)-1-[(4S,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane
CID 10500135
[(1S)-1-[(4R,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane
CID 10619947
tri(propan-2-yl)-[(1R)-1-[(4S,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane
CID 10642035
[(1R)-1-[(4S,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane
CID 10643650
tri(propan-2-yl)-[(1S)-1-[(4R,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane
CID 10689649
[(1R)-1-[(4R,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane
CID 10691337
tert-butyl-[(3S,4S)-8-(2,2-dimethyl-1,3-dioxan-5-yl)-4-ethenyloct-1-en-7-yn-3-yl]oxy-dimethylsilane
CID 10762231
tri(propan-2-yl)-[(1S)-1-[(4S,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane
CID 10784517

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,2-dimethyl-6,6-bis(prop-2-enyl)-1,3-dioxan-4-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[(4S)-2,2-dimethyl-6,6-bis(prop-2-enyl)-1,3-dioxan-4-yl]ethynyl-trimethylsilane (CID 10732443) is 2-[(4S)-2,2-dimethyl-6,6-bis(prop-2-enyl)-1,3-dioxan-4-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[(4S)-2,2-dimethyl-6,6-bis(prop-2-enyl)-1,3-dioxan-4-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[(4S)-2,2-dimethyl-6,6-bis(prop-2-enyl)-1,3-dioxan-4-yl]ethynyl-trimethylsilane is C=CCC1(CC=C)C[C@@H](C#C[Si](C)(C)C)OC(C)(C)O1.
What is the InChIKey of 2-[(4S)-2,2-dimethyl-6,6-bis(prop-2-enyl)-1,3-dioxan-4-yl]ethynyl-trimethylsilane?
The InChIKey is MDRHMZIPRBNHPJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H28O2Si/c1-8-11-17(12-9-2)14-15(10-13-20(5,6)7)18-16(3,4)19-17/h8-9,15H,1-2,11-12,14H2,3-7H3/t15-/m1/s1.
What are the key properties of 2-[(4S)-2,2-dimethyl-6,6-bis(prop-2-enyl)-1,3-dioxan-4-yl]ethynyl-trimethylsilane?
2-[(4S)-2,2-dimethyl-6,6-bis(prop-2-enyl)-1,3-dioxan-4-yl]ethynyl-trimethylsilane has a molecular weight of 292.50 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,2-dimethyl-6,6-bis(prop-2-enyl)-1,3-dioxan-4-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 10732443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).