2-[4-[2-(3,4-dihydronaphthalen-1-yl)ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane

C29H34Si — CID 11452616

IUPAC2-[4-[2-(3,4-dihydronaphthalen-1-yl)ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1ccc(C#CC2=CCCc3ccccc32)cc1)(C(C)C)C(C)C
InChIInChI=1S/C29H34Si/c1-22(2)30(23(3)4,24(5)6)21-20-26-16-14-25(15-17-26)18-19-28-12-9-11-27-10-7-8-13-29(27)28/h7-8,10,12-17,22-24H,9,11H2,1-6H3
InChIKeyYJARXUQCGDGGQG-UHFFFAOYSA-N
MW410.68 g/mol
LogP7.64
Rot. Bonds3

About 2-[4-[2-(3,4-dihydronaphthalen-1-yl)ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane

2-[4-[2-(3,4-dihydronaphthalen-1-yl)ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane (PubChem CID 11452616) has the molecular formula C29H34Si and a molecular weight of 410.68 g/mol. Its IUPAC name is 2-[4-[2-(3,4-dihydronaphthalen-1-yl)ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-[4-[2-(3,4-dihydronaphthalen-1-yl)ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane
PubChem CID11452616
Molecular FormulaC29H34Si
Molecular Weight410.68 g/mol
Exact Mass410.24
IUPAC Name2-[4-[2-(3,4-dihydronaphthalen-1-yl)ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1ccc(C#CC2=CCCc3ccccc32)cc1)(C(C)C)C(C)C
InChIInChI=1S/C29H34Si/c1-22(2)30(23(3)4,24(5)6)21-20-26-16-14-25(15-17-26)18-19-28-12-9-11-27-10-7-8-13-29(27)28/h7-8,10,12-17,22-24H,9,11H2,1-6H3
InChIKeyYJARXUQCGDGGQG-UHFFFAOYSA-N
XLogP7.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.68
LogP ≤ 57.64
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3,4-dihydronaphthalen-1-yl)ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-[4-[2-(3,4-dihydronaphthalen-1-yl)ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane (CID 11452616) is 2-[4-[2-(3,4-dihydronaphthalen-1-yl)ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-[4-[2-(3,4-dihydronaphthalen-1-yl)ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-[4-[2-(3,4-dihydronaphthalen-1-yl)ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane is CC(C)[Si](C#Cc1ccc(C#CC2=CCCc3ccccc32)cc1)(C(C)C)C(C)C.
What is the InChIKey of 2-[4-[2-(3,4-dihydronaphthalen-1-yl)ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane?
The InChIKey is YJARXUQCGDGGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34Si/c1-22(2)30(23(3)4,24(5)6)21-20-26-16-14-25(15-17-26)18-19-28-12-9-11-27-10-7-8-13-29(27)28/h7-8,10,12-17,22-24H,9,11H2,1-6H3.
What are the key properties of 2-[4-[2-(3,4-dihydronaphthalen-1-yl)ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane?
2-[4-[2-(3,4-dihydronaphthalen-1-yl)ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane has a molecular weight of 410.68 g/mol, XLogP of 7.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3,4-dihydronaphthalen-1-yl)ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 11452616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).