1-cyclopropyl-6-(2-methyl-1,3-dioxolan-2-yl)-4-trimethylsilylhex-2-yn-1-ol

C16H28O3Si — CID 166442913

IUPAC1-cyclopropyl-6-(2-methyl-1,3-dioxolan-2-yl)-4-trimethylsilylhex-2-yn-1-ol
SMILESCC1(CCC(C#CC(O)C2CC2)[Si](C)(C)C)OCCO1
InChIInChI=1S/C16H28O3Si/c1-16(18-11-12-19-16)10-9-14(20(2,3)4)7-8-15(17)13-5-6-13/h13-15,17H,5-6,9-12H2,1-4H3
InChIKeyFXIOULCDMNRTOI-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.01
Rot. Bonds5

About 1-cyclopropyl-6-(2-methyl-1,3-dioxolan-2-yl)-4-trimethylsilylhex-2-yn-1-ol

1-cyclopropyl-6-(2-methyl-1,3-dioxolan-2-yl)-4-trimethylsilylhex-2-yn-1-ol (PubChem CID 166442913) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is 1-cyclopropyl-6-(2-methyl-1,3-dioxolan-2-yl)-4-trimethylsilylhex-2-yn-1-ol.

Molecular Properties

Compound Name1-cyclopropyl-6-(2-methyl-1,3-dioxolan-2-yl)-4-trimethylsilylhex-2-yn-1-ol
PubChem CID166442913
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Name1-cyclopropyl-6-(2-methyl-1,3-dioxolan-2-yl)-4-trimethylsilylhex-2-yn-1-ol
SMILESCC1(CCC(C#CC(O)C2CC2)[Si](C)(C)C)OCCO1
InChIInChI=1S/C16H28O3Si/c1-16(18-11-12-19-16)10-9-14(20(2,3)4)7-8-15(17)13-5-6-13/h13-15,17H,5-6,9-12H2,1-4H3
InChIKeyFXIOULCDMNRTOI-UHFFFAOYSA-N
XLogP3.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-cyclopropyl-6-(2-methyl-1,3-dioxolan-2-yl)-4-trimethylsilylhex-2-yn-1-ol?
The IUPAC name of 1-cyclopropyl-6-(2-methyl-1,3-dioxolan-2-yl)-4-trimethylsilylhex-2-yn-1-ol (CID 166442913) is 1-cyclopropyl-6-(2-methyl-1,3-dioxolan-2-yl)-4-trimethylsilylhex-2-yn-1-ol.
What is the SMILES notation for 1-cyclopropyl-6-(2-methyl-1,3-dioxolan-2-yl)-4-trimethylsilylhex-2-yn-1-ol?
The canonical SMILES for 1-cyclopropyl-6-(2-methyl-1,3-dioxolan-2-yl)-4-trimethylsilylhex-2-yn-1-ol is CC1(CCC(C#CC(O)C2CC2)[Si](C)(C)C)OCCO1.
What is the InChIKey of 1-cyclopropyl-6-(2-methyl-1,3-dioxolan-2-yl)-4-trimethylsilylhex-2-yn-1-ol?
The InChIKey is FXIOULCDMNRTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3Si/c1-16(18-11-12-19-16)10-9-14(20(2,3)4)7-8-15(17)13-5-6-13/h13-15,17H,5-6,9-12H2,1-4H3.
What are the key properties of 1-cyclopropyl-6-(2-methyl-1,3-dioxolan-2-yl)-4-trimethylsilylhex-2-yn-1-ol?
1-cyclopropyl-6-(2-methyl-1,3-dioxolan-2-yl)-4-trimethylsilylhex-2-yn-1-ol has a molecular weight of 296.48 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-(2-methyl-1,3-dioxolan-2-yl)-4-trimethylsilylhex-2-yn-1-ol is sourced from PubChem (CID 166442913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).