2-[(4R)-2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane

C16H26O2Si — CID 10731318

IUPAC2-[(4R)-2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane
SMILESC=CCC1(CC=C)OC(C)(C)O[C@@H]1C#C[Si](C)(C)C
InChIInChI=1S/C16H26O2Si/c1-8-11-16(12-9-2)14(10-13-19(5,6)7)17-15(3,4)18-16/h8-9,14H,1-2,11-12H2,3-7H3/t14-/m1/s1
InChIKeyZFPATXQOBTVCRN-CQSZACIVSA-N
MW278.47 g/mol
LogP3.91
Rot. Bonds4

About 2-[(4R)-2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane

2-[(4R)-2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane (PubChem CID 10731318) has the molecular formula C16H26O2Si and a molecular weight of 278.47 g/mol. Its IUPAC name is 2-[(4R)-2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[(4R)-2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane
PubChem CID10731318
Molecular FormulaC16H26O2Si
Molecular Weight278.47 g/mol
Exact Mass278.17
IUPAC Name2-[(4R)-2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane
SMILESC=CCC1(CC=C)OC(C)(C)O[C@@H]1C#C[Si](C)(C)C
InChIInChI=1S/C16H26O2Si/c1-8-11-16(12-9-2)14(10-13-19(5,6)7)17-15(3,4)18-16/h8-9,14H,1-2,11-12H2,3-7H3/t14-/m1/s1
InChIKeyZFPATXQOBTVCRN-CQSZACIVSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 53.91
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[(4R)-2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane (CID 10731318) is 2-[(4R)-2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[(4R)-2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[(4R)-2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane is C=CCC1(CC=C)OC(C)(C)O[C@@H]1C#C[Si](C)(C)C.
What is the InChIKey of 2-[(4R)-2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane?
The InChIKey is ZFPATXQOBTVCRN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26O2Si/c1-8-11-16(12-9-2)14(10-13-19(5,6)7)17-15(3,4)18-16/h8-9,14H,1-2,11-12H2,3-7H3/t14-/m1/s1.
What are the key properties of 2-[(4R)-2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane?
2-[(4R)-2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane has a molecular weight of 278.47 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxolan-4-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 10731318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).