2-(3,5-diethyl-4-ethynylphenyl)ethynyl-tri(propan-2-yl)silane

C23H34Si — CID 53259172

IUPAC2-(3,5-diethyl-4-ethynylphenyl)ethynyl-tri(propan-2-yl)silane
SMILESC#Cc1c(CC)cc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc1CC
InChIInChI=1S/C23H34Si/c1-10-21-15-20(16-22(11-2)23(21)12-3)13-14-24(17(4)5,18(6)7)19(8)9/h3,15-19H,10-11H2,1-2,4-9H3
InChIKeyICVUQKKLBNLJHI-UHFFFAOYSA-N
MW338.61 g/mol
LogP6.36
Rot. Bonds5

About 2-(3,5-diethyl-4-ethynylphenyl)ethynyl-tri(propan-2-yl)silane

2-(3,5-diethyl-4-ethynylphenyl)ethynyl-tri(propan-2-yl)silane (PubChem CID 53259172) has the molecular formula C23H34Si and a molecular weight of 338.61 g/mol. Its IUPAC name is 2-(3,5-diethyl-4-ethynylphenyl)ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-(3,5-diethyl-4-ethynylphenyl)ethynyl-tri(propan-2-yl)silane
PubChem CID53259172
Molecular FormulaC23H34Si
Molecular Weight338.61 g/mol
Exact Mass338.24
IUPAC Name2-(3,5-diethyl-4-ethynylphenyl)ethynyl-tri(propan-2-yl)silane
SMILESC#Cc1c(CC)cc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc1CC
InChIInChI=1S/C23H34Si/c1-10-21-15-20(16-22(11-2)23(21)12-3)13-14-24(17(4)5,18(6)7)19(8)9/h3,15-19H,10-11H2,1-2,4-9H3
InChIKeyICVUQKKLBNLJHI-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 56.36
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'}

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Related Compounds

2-[2,3-diethynyl-4,5,6-tris[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl-tri(propan-2-yl)silane
CID 10653117
2-(3-tert-butyl-5-ethynylphenyl)ethynyl-tri(propan-2-yl)silane
CID 11099840
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-(13-ethynylpentacen-6-yl)ethynyl-tri(propan-2-yl)silane
CID 102307090
2-[3-[2-(4-ethynylphenyl)ethynyl]-5-hexoxyphenyl]ethynyl-tri(propan-2-yl)silane
CID 101252048
3-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]prop-2-yn-1-ol
CID 101217736
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
N,N-dipropyl-3-[2-tri(propan-2-yl)silylethynyl]benzenesulfonamide
CID 175159039
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
tri(propan-2-yl)-[2-[2-[4-[2-tri(propan-2-yl)silylethynyl]-2-pyridinyl]-4-pyridinyl]ethynyl]silane
CID 24809074
tri(propan-2-yl)-[2-[20-[2-tri(propan-2-yl)silylethynyl]-7-hexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaenyl]ethynyl]silane
CID 58410794

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethyl-4-ethynylphenyl)ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-(3,5-diethyl-4-ethynylphenyl)ethynyl-tri(propan-2-yl)silane (CID 53259172) is 2-(3,5-diethyl-4-ethynylphenyl)ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-(3,5-diethyl-4-ethynylphenyl)ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-(3,5-diethyl-4-ethynylphenyl)ethynyl-tri(propan-2-yl)silane is C#Cc1c(CC)cc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc1CC.
What is the InChIKey of 2-(3,5-diethyl-4-ethynylphenyl)ethynyl-tri(propan-2-yl)silane?
The InChIKey is ICVUQKKLBNLJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34Si/c1-10-21-15-20(16-22(11-2)23(21)12-3)13-14-24(17(4)5,18(6)7)19(8)9/h3,15-19H,10-11H2,1-2,4-9H3.
What are the key properties of 2-(3,5-diethyl-4-ethynylphenyl)ethynyl-tri(propan-2-yl)silane?
2-(3,5-diethyl-4-ethynylphenyl)ethynyl-tri(propan-2-yl)silane has a molecular weight of 338.61 g/mol, XLogP of 6.36, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethyl-4-ethynylphenyl)ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 53259172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).