[3-(2-methylphenyl)-3-naphthalen-2-ylprop-1-ynyl]-tri(propan-2-yl)silane

C29H36Si — CID 122228166

IUPAC[3-(2-methylphenyl)-3-naphthalen-2-ylprop-1-ynyl]-tri(propan-2-yl)silane
SMILESCc1ccccc1C(C#C[Si](C(C)C)(C(C)C)C(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C29H36Si/c1-21(2)30(22(3)4,23(5)6)19-18-29(28-15-11-8-12-24(28)7)27-17-16-25-13-9-10-14-26(25)20-27/h8-17,20-23,29H,1-7H3
InChIKeyOLGFBEFXXDYOOJ-UHFFFAOYSA-N
MW412.69 g/mol
LogP8.50
Rot. Bonds5

About [3-(2-methylphenyl)-3-naphthalen-2-ylprop-1-ynyl]-tri(propan-2-yl)silane

[3-(2-methylphenyl)-3-naphthalen-2-ylprop-1-ynyl]-tri(propan-2-yl)silane (PubChem CID 122228166) has the molecular formula C29H36Si and a molecular weight of 412.69 g/mol. Its IUPAC name is [3-(2-methylphenyl)-3-naphthalen-2-ylprop-1-ynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3-(2-methylphenyl)-3-naphthalen-2-ylprop-1-ynyl]-tri(propan-2-yl)silane
PubChem CID122228166
Molecular FormulaC29H36Si
Molecular Weight412.69 g/mol
Exact Mass412.26
IUPAC Name[3-(2-methylphenyl)-3-naphthalen-2-ylprop-1-ynyl]-tri(propan-2-yl)silane
SMILESCc1ccccc1C(C#C[Si](C(C)C)(C(C)C)C(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C29H36Si/c1-21(2)30(22(3)4,23(5)6)19-18-29(28-15-11-8-12-24(28)7)27-17-16-25-13-9-10-14-26(25)20-27/h8-17,20-23,29H,1-7H3
InChIKeyOLGFBEFXXDYOOJ-UHFFFAOYSA-N
XLogP8.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.69
LogP ≤ 58.50
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

(1R)-1-(2-methylphenyl)-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol
CID 102291895
(1S)-1-(2-methylphenyl)-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol
CID 102291896
N-[(2-methylphenyl)-naphthalen-2-ylmethyl]ethanamine
CID 63413907
ethane;2-propan-2-ylnaphthalene
CID 142226111
(2-fluoro-3-methylphenyl)-naphthalen-2-ylmethanamine
CID 115850991
2-propan-2-ylpentacene
CID 153380535
cumene;ethane;methane;2-propan-2-ylnaphthalene
CID 158431045
methyl-[(1R)-1-naphthalen-2-ylethyl]azanide
CID 59298029
(5-bromo-2-methylphenyl)-naphthalen-2-ylmethanamine
CID 115851118
(1S)-1-naphthalen-2-yl-3-trimethylsilylprop-2-yn-1-ol
CID 24851555
1-naphthalen-2-ylethanethiol
CID 11672816
1-naphthalen-2-ylethanamine
CID 3857145

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylphenyl)-3-naphthalen-2-ylprop-1-ynyl]-tri(propan-2-yl)silane?
The IUPAC name of [3-(2-methylphenyl)-3-naphthalen-2-ylprop-1-ynyl]-tri(propan-2-yl)silane (CID 122228166) is [3-(2-methylphenyl)-3-naphthalen-2-ylprop-1-ynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [3-(2-methylphenyl)-3-naphthalen-2-ylprop-1-ynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [3-(2-methylphenyl)-3-naphthalen-2-ylprop-1-ynyl]-tri(propan-2-yl)silane is Cc1ccccc1C(C#C[Si](C(C)C)(C(C)C)C(C)C)c1ccc2ccccc2c1.
What is the InChIKey of [3-(2-methylphenyl)-3-naphthalen-2-ylprop-1-ynyl]-tri(propan-2-yl)silane?
The InChIKey is OLGFBEFXXDYOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36Si/c1-21(2)30(22(3)4,23(5)6)19-18-29(28-15-11-8-12-24(28)7)27-17-16-25-13-9-10-14-26(25)20-27/h8-17,20-23,29H,1-7H3.
What are the key properties of [3-(2-methylphenyl)-3-naphthalen-2-ylprop-1-ynyl]-tri(propan-2-yl)silane?
[3-(2-methylphenyl)-3-naphthalen-2-ylprop-1-ynyl]-tri(propan-2-yl)silane has a molecular weight of 412.69 g/mol, XLogP of 8.50, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylphenyl)-3-naphthalen-2-ylprop-1-ynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 122228166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).