trimethyl-[6-(2-methyl-1,3-dioxolan-2-yl)hex-2-ynyl]silane

C13H24O2Si — CID 12635434

IUPACtrimethyl-[6-(2-methyl-1,3-dioxolan-2-yl)hex-2-ynyl]silane
SMILESCC1(CCCC#CC[Si](C)(C)C)OCCO1
InChIInChI=1S/C13H24O2Si/c1-13(14-10-11-15-13)9-7-5-6-8-12-16(2,3)4/h5,7,9-12H2,1-4H3
InChIKeyCBLONBSLTPERAH-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.26
Rot. Bonds4

About trimethyl-[6-(2-methyl-1,3-dioxolan-2-yl)hex-2-ynyl]silane

trimethyl-[6-(2-methyl-1,3-dioxolan-2-yl)hex-2-ynyl]silane (PubChem CID 12635434) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is trimethyl-[6-(2-methyl-1,3-dioxolan-2-yl)hex-2-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[6-(2-methyl-1,3-dioxolan-2-yl)hex-2-ynyl]silane
PubChem CID12635434
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Nametrimethyl-[6-(2-methyl-1,3-dioxolan-2-yl)hex-2-ynyl]silane
SMILESCC1(CCCC#CC[Si](C)(C)C)OCCO1
InChIInChI=1S/C13H24O2Si/c1-13(14-10-11-15-13)9-7-5-6-8-12-16(2,3)4/h5,7,9-12H2,1-4H3
InChIKeyCBLONBSLTPERAH-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 trimethyl-[6-(2-methyl-1,3-dioxolan-2-yl)hex-2-ynyl]silane?
The IUPAC name of trimethyl-[6-(2-methyl-1,3-dioxolan-2-yl)hex-2-ynyl]silane (CID 12635434) is trimethyl-[6-(2-methyl-1,3-dioxolan-2-yl)hex-2-ynyl]silane.
What is the SMILES notation for trimethyl-[6-(2-methyl-1,3-dioxolan-2-yl)hex-2-ynyl]silane?
The canonical SMILES for trimethyl-[6-(2-methyl-1,3-dioxolan-2-yl)hex-2-ynyl]silane is CC1(CCCC#CC[Si](C)(C)C)OCCO1.
What is the InChIKey of trimethyl-[6-(2-methyl-1,3-dioxolan-2-yl)hex-2-ynyl]silane?
The InChIKey is CBLONBSLTPERAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-13(14-10-11-15-13)9-7-5-6-8-12-16(2,3)4/h5,7,9-12H2,1-4H3.
What are the key properties of trimethyl-[6-(2-methyl-1,3-dioxolan-2-yl)hex-2-ynyl]silane?
trimethyl-[6-(2-methyl-1,3-dioxolan-2-yl)hex-2-ynyl]silane has a molecular weight of 240.42 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[6-(2-methyl-1,3-dioxolan-2-yl)hex-2-ynyl]silane is sourced from PubChem (CID 12635434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).