triethyl-[(3R)-3-methoxypenta-1,4-diynyl]silane

C12H20OSi — CID 101388533

IUPACtriethyl-[(3R)-3-methoxypenta-1,4-diynyl]silane
SMILESC#C[C@H](C#C[Si](CC)(CC)CC)OC
InChIInChI=1S/C12H20OSi/c1-6-12(13-5)10-11-14(7-2,8-3)9-4/h1,12H,7-9H2,2-5H3/t12-/m1/s1
InChIKeyDREKFLJUXFELPJ-GFCCVEGCSA-N
MW208.38 g/mol
LogP2.69
Rot. Bonds4

About triethyl-[(3R)-3-methoxypenta-1,4-diynyl]silane

triethyl-[(3R)-3-methoxypenta-1,4-diynyl]silane (PubChem CID 101388533) has the molecular formula C12H20OSi and a molecular weight of 208.38 g/mol. Its IUPAC name is triethyl-[(3R)-3-methoxypenta-1,4-diynyl]silane.

Molecular Properties

Compound Nametriethyl-[(3R)-3-methoxypenta-1,4-diynyl]silane
PubChem CID101388533
Molecular FormulaC12H20OSi
Molecular Weight208.38 g/mol
Exact Mass208.13
IUPAC Nametriethyl-[(3R)-3-methoxypenta-1,4-diynyl]silane
SMILESC#C[C@H](C#C[Si](CC)(CC)CC)OC
InChIInChI=1S/C12H20OSi/c1-6-12(13-5)10-11-14(7-2,8-3)9-4/h1,12H,7-9H2,2-5H3/t12-/m1/s1
InChIKeyDREKFLJUXFELPJ-GFCCVEGCSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.38
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze triethyl-[(3R)-3-methoxypenta-1,4-diynyl]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 triethyl-[(3R)-3-methoxypenta-1,4-diynyl]silane?
The IUPAC name of triethyl-[(3R)-3-methoxypenta-1,4-diynyl]silane (CID 101388533) is triethyl-[(3R)-3-methoxypenta-1,4-diynyl]silane.
What is the SMILES notation for triethyl-[(3R)-3-methoxypenta-1,4-diynyl]silane?
The canonical SMILES for triethyl-[(3R)-3-methoxypenta-1,4-diynyl]silane is C#C[C@H](C#C[Si](CC)(CC)CC)OC.
What is the InChIKey of triethyl-[(3R)-3-methoxypenta-1,4-diynyl]silane?
The InChIKey is DREKFLJUXFELPJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H20OSi/c1-6-12(13-5)10-11-14(7-2,8-3)9-4/h1,12H,7-9H2,2-5H3/t12-/m1/s1.
What are the key properties of triethyl-[(3R)-3-methoxypenta-1,4-diynyl]silane?
triethyl-[(3R)-3-methoxypenta-1,4-diynyl]silane has a molecular weight of 208.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(3R)-3-methoxypenta-1,4-diynyl]silane is sourced from PubChem (CID 101388533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).