2-naphthalen-1-ylethyl-tri(propan-2-yl)silane

C21H32Si — CID 176778541

IUPAC2-naphthalen-1-ylethyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](CCc1cccc2ccccc12)(C(C)C)C(C)C
InChIInChI=1S/C21H32Si/c1-16(2)22(17(3)4,18(5)6)15-14-20-12-9-11-19-10-7-8-13-21(19)20/h7-13,16-18H,14-15H2,1-6H3
InChIKeyKMXOTMFGXABTKT-UHFFFAOYSA-N
MW312.57 g/mol
LogP7.06
Rot. Bonds6

About 2-naphthalen-1-ylethyl-tri(propan-2-yl)silane

2-naphthalen-1-ylethyl-tri(propan-2-yl)silane (PubChem CID 176778541) has the molecular formula C21H32Si and a molecular weight of 312.57 g/mol. Its IUPAC name is 2-naphthalen-1-ylethyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-naphthalen-1-ylethyl-tri(propan-2-yl)silane
PubChem CID176778541
Molecular FormulaC21H32Si
Molecular Weight312.57 g/mol
Exact Mass312.23
IUPAC Name2-naphthalen-1-ylethyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](CCc1cccc2ccccc12)(C(C)C)C(C)C
InChIInChI=1S/C21H32Si/c1-16(2)22(17(3)4,18(5)6)15-14-20-12-9-11-19-10-7-8-13-21(19)20/h7-13,16-18H,14-15H2,1-6H3
InChIKeyKMXOTMFGXABTKT-UHFFFAOYSA-N
XLogP7.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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(2S)-4-naphthalen-1-ylbutan-2-amine
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4-methyl-1-naphthalen-1-ylpentan-3-amine
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tributyl(2-naphthalen-1-ylethyl)silane
CID 140900135
2-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115140997
N-methyl-N-(2-naphthalen-1-ylethyl)propan-2-amine
CID 117044251
ethane;2-naphthalen-1-ylethanol
CID 145119048
(2R)-2-methyl-3-naphthalen-1-ylpropan-1-amine
CID 37134613
3-amino-N-(2-naphthalen-1-ylethyl)butanamide
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1-(2-chloropropyl)naphthalene
CID 12809422
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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylethyl-tri(propan-2-yl)silane?
The IUPAC name of 2-naphthalen-1-ylethyl-tri(propan-2-yl)silane (CID 176778541) is 2-naphthalen-1-ylethyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-naphthalen-1-ylethyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-naphthalen-1-ylethyl-tri(propan-2-yl)silane is CC(C)[Si](CCc1cccc2ccccc12)(C(C)C)C(C)C.
What is the InChIKey of 2-naphthalen-1-ylethyl-tri(propan-2-yl)silane?
The InChIKey is KMXOTMFGXABTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32Si/c1-16(2)22(17(3)4,18(5)6)15-14-20-12-9-11-19-10-7-8-13-21(19)20/h7-13,16-18H,14-15H2,1-6H3.
What are the key properties of 2-naphthalen-1-ylethyl-tri(propan-2-yl)silane?
2-naphthalen-1-ylethyl-tri(propan-2-yl)silane has a molecular weight of 312.57 g/mol, XLogP of 7.06, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylethyl-tri(propan-2-yl)silane is sourced from PubChem (CID 176778541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).