(6-tert-butylnaphthalen-2-yl)-trimethoxysilane

C17H24O3Si — CID 157107144

IUPAC(6-tert-butylnaphthalen-2-yl)-trimethoxysilane
SMILESCO[Si](OC)(OC)c1ccc2cc(C(C)(C)C)ccc2c1
InChIInChI=1S/C17H24O3Si/c1-17(2,3)15-9-7-14-12-16(10-8-13(14)11-15)21(18-4,19-5)20-6/h7-12H,1-6H3
InChIKeyAGKRMTTWGKMOEU-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.22
Rot. Bonds4

About (6-tert-butylnaphthalen-2-yl)-trimethoxysilane

(6-tert-butylnaphthalen-2-yl)-trimethoxysilane (PubChem CID 157107144) has the molecular formula C17H24O3Si and a molecular weight of 304.46 g/mol. Its IUPAC name is (6-tert-butylnaphthalen-2-yl)-trimethoxysilane.

Molecular Properties

Compound Name(6-tert-butylnaphthalen-2-yl)-trimethoxysilane
PubChem CID157107144
Molecular FormulaC17H24O3Si
Molecular Weight304.46 g/mol
Exact Mass304.15
IUPAC Name(6-tert-butylnaphthalen-2-yl)-trimethoxysilane
SMILESCO[Si](OC)(OC)c1ccc2cc(C(C)(C)C)ccc2c1
InChIInChI=1S/C17H24O3Si/c1-17(2,3)15-9-7-14-12-16(10-8-13(14)11-15)21(18-4,19-5)20-6/h7-12H,1-6H3
InChIKeyAGKRMTTWGKMOEU-UHFFFAOYSA-N
XLogP3.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trimethoxy(tetracen-2-yl)silane
CID 23434786
anthracen-2-yl(trimethoxy)silane
CID 87375870
2,6-ditert-butylanthracene
CID 15740416
trimethoxy-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
CID 90172461
trimethoxy(pyren-2-yl)silane
CID 23434774
2-tert-butyl-6-methoxynaphthalene;6-tert-butylnaphthalen-2-ol
CID 159191921
trichloro-(4-trimethoxysilylphenyl)silane
CID 59207169
1-tert-butyl-4-methylbenzene;2-tert-butyl-6-methylnaphthalene
CID 159784844
2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene
CID 161399944
6-tert-butyl-4-methylisoquinoline
CID 59563711
1-bromo-3,6-ditert-butylanthracene
CID 171571905
2,7-ditert-butylphenazine
CID 59610780

Frequently Asked Questions

What is the IUPAC name of (6-tert-butylnaphthalen-2-yl)-trimethoxysilane?
The IUPAC name of (6-tert-butylnaphthalen-2-yl)-trimethoxysilane (CID 157107144) is (6-tert-butylnaphthalen-2-yl)-trimethoxysilane.
What is the SMILES notation for (6-tert-butylnaphthalen-2-yl)-trimethoxysilane?
The canonical SMILES for (6-tert-butylnaphthalen-2-yl)-trimethoxysilane is CO[Si](OC)(OC)c1ccc2cc(C(C)(C)C)ccc2c1.
What is the InChIKey of (6-tert-butylnaphthalen-2-yl)-trimethoxysilane?
The InChIKey is AGKRMTTWGKMOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3Si/c1-17(2,3)15-9-7-14-12-16(10-8-13(14)11-15)21(18-4,19-5)20-6/h7-12H,1-6H3.
What are the key properties of (6-tert-butylnaphthalen-2-yl)-trimethoxysilane?
(6-tert-butylnaphthalen-2-yl)-trimethoxysilane has a molecular weight of 304.46 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butylnaphthalen-2-yl)-trimethoxysilane is sourced from PubChem (CID 157107144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).