[4-(4-chlorophenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane

C21H31ClSi — CID 102235448

IUPAC[4-(4-chlorophenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane
SMILESC=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C21H31ClSi/c1-15(2)23(16(3)4,17(5)6)14-13-18(7)19(8)20-9-11-21(22)12-10-20/h9-12,15-17,19H,7H2,1-6,8H3
InChIKeyAGNMIYXSGAGZNK-UHFFFAOYSA-N
MW347.02 g/mol
LogP7.22
Rot. Bonds5

About [4-(4-chlorophenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane

[4-(4-chlorophenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane (PubChem CID 102235448) has the molecular formula C21H31ClSi and a molecular weight of 347.02 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane
PubChem CID102235448
Molecular FormulaC21H31ClSi
Molecular Weight347.02 g/mol
Exact Mass346.19
IUPAC Name[4-(4-chlorophenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane
SMILESC=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C21H31ClSi/c1-15(2)23(16(3)4,17(5)6)14-13-18(7)19(8)20-9-11-21(22)12-10-20/h9-12,15-17,19H,7H2,1-6,8H3
InChIKeyAGNMIYXSGAGZNK-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.02
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [4-(4-chlorophenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane with MolForge

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

Launch Full Analysis

Related Compounds

3-benzhydrylbut-3-en-1-ynyl-tri(propan-2-yl)silane
CID 102235449
(1S,2R)-2-amino-1-(4-chlorophenyl)-4-tri(propan-2-yl)silylbut-3-yn-1-ol;(1R,2S)-2-amino-1-(4-chlorophenyl)-4-tri(propan-2-yl)silylbut-3-yn-1-ol
CID 158252679
3-(4-chlorophenyl)butan-2-one
CID 21269944
(3S)-3-(4-chlorophenyl)butan-2-one
CID 94841773
(3R)-3-(4-chlorophenyl)butan-2-one
CID 90139633
(2R)-1-(4-chlorophenyl)propane-1,2-diol
CID 132594901
2-chloro-N-[(1R,2S)-1-(4-chlorophenyl)-1-hydroxy-4-tri(propan-2-yl)silylbut-3-yn-2-yl]acetamide
CID 154137130
(1R,2S)-1-(4-chlorophenyl)-1-(methoxymethoxy)-4-tri(propan-2-yl)silylbut-3-yn-2-amine
CID 154049382
1-chloro-4-[(3S,4S)-4-(4-chlorophenyl)hexa-1,5-diyn-3-yl]benzene
CID 101383793
1-chloro-4-(3-methylbutan-2-yl)benzene;ethane
CID 166470462
(2S)-2-(4-chlorophenyl)-N-methylpropanamide
CID 143748208
(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol
CID 130676173

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane?
The IUPAC name of [4-(4-chlorophenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane (CID 102235448) is [4-(4-chlorophenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [4-(4-chlorophenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [4-(4-chlorophenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane is C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of [4-(4-chlorophenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane?
The InChIKey is AGNMIYXSGAGZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClSi/c1-15(2)23(16(3)4,17(5)6)14-13-18(7)19(8)20-9-11-21(22)12-10-20/h9-12,15-17,19H,7H2,1-6,8H3.
What are the key properties of [4-(4-chlorophenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane?
[4-(4-chlorophenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane has a molecular weight of 347.02 g/mol, XLogP of 7.22, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-3-methylidenepent-1-ynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 102235448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).