trimethyl-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-ynyl]silane

C12H22O2Si — CID 12635437

IUPACtrimethyl-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-ynyl]silane
SMILESCC1(CCCC#C[Si](C)(C)C)OCCO1
InChIInChI=1S/C12H22O2Si/c1-12(13-9-10-14-12)8-6-5-7-11-15(2,3)4/h5-6,8-10H2,1-4H3
InChIKeySJUNJTFXMZDSCO-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.80
Rot. Bonds3

About trimethyl-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-ynyl]silane

trimethyl-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-ynyl]silane (PubChem CID 12635437) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is trimethyl-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-ynyl]silane
PubChem CID12635437
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Nametrimethyl-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-ynyl]silane
SMILESCC1(CCCC#C[Si](C)(C)C)OCCO1
InChIInChI=1S/C12H22O2Si/c1-12(13-9-10-14-12)8-6-5-7-11-15(2,3)4/h5-6,8-10H2,1-4H3
InChIKeySJUNJTFXMZDSCO-UHFFFAOYSA-N
XLogP2.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.80
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'}

Analyze trimethyl-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-ynyl]silane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethyl-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-ynyl]silane?
The IUPAC name of trimethyl-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-ynyl]silane (CID 12635437) is trimethyl-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-ynyl]silane.
What is the SMILES notation for trimethyl-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-ynyl]silane?
The canonical SMILES for trimethyl-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-ynyl]silane is CC1(CCCC#C[Si](C)(C)C)OCCO1.
What is the InChIKey of trimethyl-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-ynyl]silane?
The InChIKey is SJUNJTFXMZDSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-12(13-9-10-14-12)8-6-5-7-11-15(2,3)4/h5-6,8-10H2,1-4H3.
What are the key properties of trimethyl-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-ynyl]silane?
trimethyl-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-ynyl]silane has a molecular weight of 226.39 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-ynyl]silane is sourced from PubChem (CID 12635437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).