3-methyl-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol

C22H30OSi — CID 174110724

IUPAC3-methyl-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol
SMILESCc1cc(O)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)cccc2c1
InChIInChI=1S/C22H30OSi/c1-15(2)24(16(3)4,17(5)6)12-11-19-9-8-10-20-13-18(7)14-21(23)22(19)20/h8-10,13-17,23H,1-7H3
InChIKeyDNHOZHOVQXNHPD-UHFFFAOYSA-N
MW338.57 g/mol
LogP6.42
Rot. Bonds3

About 3-methyl-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol

3-methyl-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol (PubChem CID 174110724) has the molecular formula C22H30OSi and a molecular weight of 338.57 g/mol. Its IUPAC name is 3-methyl-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol.

Molecular Properties

Compound Name3-methyl-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol
PubChem CID174110724
Molecular FormulaC22H30OSi
Molecular Weight338.57 g/mol
Exact Mass338.21
IUPAC Name3-methyl-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol
SMILESCc1cc(O)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)cccc2c1
InChIInChI=1S/C22H30OSi/c1-15(2)24(16(3)4,17(5)6)12-11-19-9-8-10-20-13-18(7)14-21(23)22(19)20/h8-10,13-17,23H,1-7H3
InChIKeyDNHOZHOVQXNHPD-UHFFFAOYSA-N
XLogP6.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.57
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-methyl-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol?
The IUPAC name of 3-methyl-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol (CID 174110724) is 3-methyl-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol.
What is the SMILES notation for 3-methyl-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol?
The canonical SMILES for 3-methyl-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol is Cc1cc(O)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)cccc2c1.
What is the InChIKey of 3-methyl-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol?
The InChIKey is DNHOZHOVQXNHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30OSi/c1-15(2)24(16(3)4,17(5)6)12-11-19-9-8-10-20-13-18(7)14-21(23)22(19)20/h8-10,13-17,23H,1-7H3.
What are the key properties of 3-methyl-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol?
3-methyl-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol has a molecular weight of 338.57 g/mol, XLogP of 6.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol is sourced from PubChem (CID 174110724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).