2-(2,6-dimethoxynaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane

C23H32O2Si — CID 169050369

IUPAC2-(2,6-dimethoxynaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane
SMILESCOc1ccc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(OC)ccc2c1
InChIInChI=1S/C23H32O2Si/c1-16(2)26(17(3)4,18(5)6)14-13-22-21-11-10-20(24-7)15-19(21)9-12-23(22)25-8/h9-12,15-18H,1-8H3
InChIKeyJEOVNIFFJMHASA-UHFFFAOYSA-N
MW368.59 g/mol
LogP6.43
Rot. Bonds5

About 2-(2,6-dimethoxynaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane

2-(2,6-dimethoxynaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane (PubChem CID 169050369) has the molecular formula C23H32O2Si and a molecular weight of 368.59 g/mol. Its IUPAC name is 2-(2,6-dimethoxynaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-(2,6-dimethoxynaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane
PubChem CID169050369
Molecular FormulaC23H32O2Si
Molecular Weight368.59 g/mol
Exact Mass368.22
IUPAC Name2-(2,6-dimethoxynaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane
SMILESCOc1ccc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(OC)ccc2c1
InChIInChI=1S/C23H32O2Si/c1-16(2)26(17(3)4,18(5)6)14-13-22-21-11-10-20(24-7)15-19(21)9-12-23(22)25-8/h9-12,15-18H,1-8H3
InChIKeyJEOVNIFFJMHASA-UHFFFAOYSA-N
XLogP6.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.59
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[13-[2-(4-methoxyphenyl)ethynyl]pentacen-6-yl]ethynyl-tri(propan-2-yl)silane
CID 102596941
2,6-dimethoxy-1-methylnaphthalene
CID 68950467
2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane
CID 169049968
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
7,20-dimethoxyhexacyclo[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-tridecaene
CID 58411039
2,6-dimethoxy-1-(4-methoxyphenyl)naphthalene
CID 139203574
2-[6-(methoxymethoxy)naphthalen-1-yl]ethynyl-tri(propan-2-yl)silane
CID 172770532
5-methoxy-N-methyl-2-[2-tri(propan-2-yl)silylethynyl]aniline
CID 175524097
2-pentacen-6-ylethynyl-tri(propan-2-yl)silane
CID 141495098
1,3,7-trimethoxynaphthalene
CID 102088907
2,6-dimethoxynaphthalene-1-carbaldehyde
CID 12583354
2-(5-methoxy-1H-indol-7-yl)ethynyl-tri(propan-2-yl)silane
CID 177394788

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxynaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-(2,6-dimethoxynaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane (CID 169050369) is 2-(2,6-dimethoxynaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-(2,6-dimethoxynaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-(2,6-dimethoxynaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane is COc1ccc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(OC)ccc2c1.
What is the InChIKey of 2-(2,6-dimethoxynaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane?
The InChIKey is JEOVNIFFJMHASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2Si/c1-16(2)26(17(3)4,18(5)6)14-13-22-21-11-10-20(24-7)15-19(21)9-12-23(22)25-8/h9-12,15-18H,1-8H3.
What are the key properties of 2-(2,6-dimethoxynaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane?
2-(2,6-dimethoxynaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane has a molecular weight of 368.59 g/mol, XLogP of 6.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxynaphthalen-1-yl)ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 169050369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).