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

C23H32O3Si — CID 156645420

IUPAC3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol
SMILESCOCOc1cc(O)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)cccc2c1
InChIInChI=1S/C23H32O3Si/c1-16(2)27(17(3)4,18(5)6)12-11-19-9-8-10-20-13-21(26-15-25-7)14-22(24)23(19)20/h8-10,13-14,16-18,24H,15H2,1-7H3
InChIKeyKBYXEQCSNASCPN-UHFFFAOYSA-N
MW384.59 g/mol
LogP6.10
Rot. Bonds6

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

3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol (PubChem CID 156645420) has the molecular formula C23H32O3Si and a molecular weight of 384.59 g/mol. Its IUPAC name is 3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol.

Molecular Properties

Compound Name3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol
PubChem CID156645420
Molecular FormulaC23H32O3Si
Molecular Weight384.59 g/mol
Exact Mass384.21
IUPAC Name3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol
SMILESCOCOc1cc(O)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)cccc2c1
InChIInChI=1S/C23H32O3Si/c1-16(2)27(17(3)4,18(5)6)12-11-19-9-8-10-20-13-21(26-15-25-7)14-22(24)23(19)20/h8-10,13-14,16-18,24H,15H2,1-7H3
InChIKeyKBYXEQCSNASCPN-UHFFFAOYSA-N
XLogP6.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.59
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol?
The IUPAC name of 3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol (CID 156645420) is 3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol.
What is the SMILES notation for 3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol?
The canonical SMILES for 3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol is COCOc1cc(O)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)cccc2c1.
What is the InChIKey of 3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol?
The InChIKey is KBYXEQCSNASCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O3Si/c1-16(2)27(17(3)4,18(5)6)12-11-19-9-8-10-20-13-21(26-15-25-7)14-22(24)23(19)20/h8-10,13-14,16-18,24H,15H2,1-7H3.
What are the key properties of 3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol?
3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol has a molecular weight of 384.59 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol is sourced from PubChem (CID 156645420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).