2-(5,6-dihydronaphthalen-2-yl)ethynyl-tri(propan-2-yl)silane

C21H30Si — CID 162416899

IUPAC2-(5,6-dihydronaphthalen-2-yl)ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1ccc2c(c1)C=CCC2)(C(C)C)C(C)C
InChIInChI=1S/C21H30Si/c1-16(2)22(17(3)4,18(5)6)14-13-19-11-12-20-9-7-8-10-21(20)15-19/h8,10-12,15-18H,7,9H2,1-6H3
InChIKeyYWIRVGQQRTWGHX-UHFFFAOYSA-N
MW310.56 g/mol
LogP6.22
Rot. Bonds3

About 2-(5,6-dihydronaphthalen-2-yl)ethynyl-tri(propan-2-yl)silane

2-(5,6-dihydronaphthalen-2-yl)ethynyl-tri(propan-2-yl)silane (PubChem CID 162416899) has the molecular formula C21H30Si and a molecular weight of 310.56 g/mol. Its IUPAC name is 2-(5,6-dihydronaphthalen-2-yl)ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-(5,6-dihydronaphthalen-2-yl)ethynyl-tri(propan-2-yl)silane
PubChem CID162416899
Molecular FormulaC21H30Si
Molecular Weight310.56 g/mol
Exact Mass310.21
IUPAC Name2-(5,6-dihydronaphthalen-2-yl)ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1ccc2c(c1)C=CCC2)(C(C)C)C(C)C
InChIInChI=1S/C21H30Si/c1-16(2)22(17(3)4,18(5)6)14-13-19-11-12-20-9-7-8-10-21(20)15-19/h8,10-12,15-18H,7,9H2,1-6H3
InChIKeyYWIRVGQQRTWGHX-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.56
LogP ≤ 56.22
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydronaphthalen-2-yl)ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-(5,6-dihydronaphthalen-2-yl)ethynyl-tri(propan-2-yl)silane (CID 162416899) is 2-(5,6-dihydronaphthalen-2-yl)ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-(5,6-dihydronaphthalen-2-yl)ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-(5,6-dihydronaphthalen-2-yl)ethynyl-tri(propan-2-yl)silane is CC(C)[Si](C#Cc1ccc2c(c1)C=CCC2)(C(C)C)C(C)C.
What is the InChIKey of 2-(5,6-dihydronaphthalen-2-yl)ethynyl-tri(propan-2-yl)silane?
The InChIKey is YWIRVGQQRTWGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30Si/c1-16(2)22(17(3)4,18(5)6)14-13-19-11-12-20-9-7-8-10-21(20)15-19/h8,10-12,15-18H,7,9H2,1-6H3.
What are the key properties of 2-(5,6-dihydronaphthalen-2-yl)ethynyl-tri(propan-2-yl)silane?
2-(5,6-dihydronaphthalen-2-yl)ethynyl-tri(propan-2-yl)silane has a molecular weight of 310.56 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydronaphthalen-2-yl)ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 162416899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).