2-(3-tert-butyl-5-ethynylphenyl)ethynyl-tri(propan-2-yl)silane

C23H34Si — CID 11099840

IUPAC2-(3-tert-butyl-5-ethynylphenyl)ethynyl-tri(propan-2-yl)silane
SMILESC#Cc1cc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C23H34Si/c1-11-20-14-21(16-22(15-20)23(8,9)10)12-13-24(17(2)3,18(4)5)19(6)7/h1,14-19H,2-10H3
InChIKeyHJSNHLGMEVUXLO-UHFFFAOYSA-N
MW338.61 g/mol
LogP6.53
Rot. Bonds3

About 2-(3-tert-butyl-5-ethynylphenyl)ethynyl-tri(propan-2-yl)silane

2-(3-tert-butyl-5-ethynylphenyl)ethynyl-tri(propan-2-yl)silane (PubChem CID 11099840) has the molecular formula C23H34Si and a molecular weight of 338.61 g/mol. Its IUPAC name is 2-(3-tert-butyl-5-ethynylphenyl)ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-(3-tert-butyl-5-ethynylphenyl)ethynyl-tri(propan-2-yl)silane
PubChem CID11099840
Molecular FormulaC23H34Si
Molecular Weight338.61 g/mol
Exact Mass338.24
IUPAC Name2-(3-tert-butyl-5-ethynylphenyl)ethynyl-tri(propan-2-yl)silane
SMILESC#Cc1cc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C23H34Si/c1-11-20-14-21(16-22(15-20)23(8,9)10)12-13-24(17(2)3,18(4)5)19(6)7/h1,14-19H,2-10H3
InChIKeyHJSNHLGMEVUXLO-UHFFFAOYSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 56.53
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 2-(3-tert-butyl-5-ethynylphenyl)ethynyl-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

(2S)-2,4-bis[3-tert-butyl-5-[2-tri(propan-2-yl)silylethynyl]phenyl]but-3-yn-2-ol
CID 11227790
2-(3,5-diethyl-4-ethynylphenyl)ethynyl-tri(propan-2-yl)silane
CID 53259172
tri(propan-2-yl)-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane
CID 11657473
2-[4-[2-[4-[2-[3,5-bis[[3-[[3-[[3-(benzylsulfanylmethyl)-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]-5-tert-butylphenyl]methylsulfanylmethyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane
CID 102298905
tri(propan-2-yl)-[2-[4-[2-[4-[2-[3-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane
CID 102510770
2-[3-[2-(4-ethynylphenyl)ethynyl]-5-hexoxyphenyl]ethynyl-tri(propan-2-yl)silane
CID 101252048
2-[2,3-diethynyl-4,5,6-tris[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl-tri(propan-2-yl)silane
CID 10653117
2-[5-tert-butyl-2-[2-[2,4,5-tris[2-[4-tert-butyl-2-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane
CID 102208638
2-[2,6-ditert-butyl-10-[4-[2,6-ditert-butyl-10-[4-[2,6-ditert-butyl-10-[4-[2,6-ditert-butyl-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]buta-1,3-diynyl]anthracen-9-yl]buta-1,3-diynyl]anthracen-9-yl]buta-1,3-diynyl]anthracen-9-yl]ethynyl-tri(propan-2-yl)silane
CID 132506214
(2,4,6-tritert-butylphenyl)-[4-[(2,4,6-tritert-butylphenyl)-[4-[(2,4,6-tritert-butylphenyl)-[4-[(2,4,6-tritert-butylphenyl)-[4-[(2,4,6-tritert-butylphenyl)-[4-[(2,4,6-tritert-butylphenyl)-[4-[(2,4,6-tritert-butylphenyl)-[4-[(2,4,6-tritert-butylphenyl)-[2-tri(propan-2-yl)silylethynyl]phosphanyl]buta-1,3-diynyl]phosphanyl]buta-1,3-diynyl]phosphanyl]buta-1,3-diynyl]phosphanyl]buta-1,3-diynyl]phosphanyl]buta-1,3-diynyl]phosphanyl]buta-1,3-diynyl]phosphanyl]buta-1,3-diynyl]-[2-tri(propan-2-yl)silylethynyl]phosphane
CID 101076527
6-(trifluoromethyl)-4-[2-tri(propan-2-yl)silylethynyl]-1H-pyridin-2-one
CID 167476535
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]-4-[2-tri(propan-2-yl)silylethynyl]aniline;4-ethynyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 158079930

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-5-ethynylphenyl)ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-(3-tert-butyl-5-ethynylphenyl)ethynyl-tri(propan-2-yl)silane (CID 11099840) is 2-(3-tert-butyl-5-ethynylphenyl)ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-(3-tert-butyl-5-ethynylphenyl)ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-(3-tert-butyl-5-ethynylphenyl)ethynyl-tri(propan-2-yl)silane is C#Cc1cc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc(C(C)(C)C)c1.
What is the InChIKey of 2-(3-tert-butyl-5-ethynylphenyl)ethynyl-tri(propan-2-yl)silane?
The InChIKey is HJSNHLGMEVUXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34Si/c1-11-20-14-21(16-22(15-20)23(8,9)10)12-13-24(17(2)3,18(4)5)19(6)7/h1,14-19H,2-10H3.
What are the key properties of 2-(3-tert-butyl-5-ethynylphenyl)ethynyl-tri(propan-2-yl)silane?
2-(3-tert-butyl-5-ethynylphenyl)ethynyl-tri(propan-2-yl)silane has a molecular weight of 338.61 g/mol, XLogP of 6.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-5-ethynylphenyl)ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 11099840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).