2-[6-(methoxymethoxy)naphthalen-1-yl]ethynyl-tri(propan-2-yl)silane

C23H32O2Si — CID 172770532

IUPAC2-[6-(methoxymethoxy)naphthalen-1-yl]ethynyl-tri(propan-2-yl)silane
SMILESCOCOc1ccc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)cccc2c1
InChIInChI=1S/C23H32O2Si/c1-17(2)26(18(3)4,19(5)6)14-13-20-9-8-10-21-15-22(25-16-24-7)11-12-23(20)21/h8-12,15,17-19H,16H2,1-7H3
InChIKeyMWVIKUOXPWMECU-UHFFFAOYSA-N
MW368.59 g/mol
LogP6.39
Rot. Bonds6

About 2-[6-(methoxymethoxy)naphthalen-1-yl]ethynyl-tri(propan-2-yl)silane

2-[6-(methoxymethoxy)naphthalen-1-yl]ethynyl-tri(propan-2-yl)silane (PubChem CID 172770532) has the molecular formula C23H32O2Si and a molecular weight of 368.59 g/mol. Its IUPAC name is 2-[6-(methoxymethoxy)naphthalen-1-yl]ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-[6-(methoxymethoxy)naphthalen-1-yl]ethynyl-tri(propan-2-yl)silane
PubChem CID172770532
Molecular FormulaC23H32O2Si
Molecular Weight368.59 g/mol
Exact Mass368.22
IUPAC Name2-[6-(methoxymethoxy)naphthalen-1-yl]ethynyl-tri(propan-2-yl)silane
SMILESCOCOc1ccc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)cccc2c1
InChIInChI=1S/C23H32O2Si/c1-17(2)26(18(3)4,19(5)6)14-13-20-9-8-10-21-15-22(25-16-24-7)11-12-23(20)21/h8-12,15,17-19H,16H2,1-7H3
InChIKeyMWVIKUOXPWMECU-UHFFFAOYSA-N
XLogP6.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.59
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-[6-(methoxymethoxy)naphthalen-1-yl]ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-[6-(methoxymethoxy)naphthalen-1-yl]ethynyl-tri(propan-2-yl)silane (CID 172770532) is 2-[6-(methoxymethoxy)naphthalen-1-yl]ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-[6-(methoxymethoxy)naphthalen-1-yl]ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-[6-(methoxymethoxy)naphthalen-1-yl]ethynyl-tri(propan-2-yl)silane is COCOc1ccc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)cccc2c1.
What is the InChIKey of 2-[6-(methoxymethoxy)naphthalen-1-yl]ethynyl-tri(propan-2-yl)silane?
The InChIKey is MWVIKUOXPWMECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2Si/c1-17(2)26(18(3)4,19(5)6)14-13-20-9-8-10-21-15-22(25-16-24-7)11-12-23(20)21/h8-12,15,17-19H,16H2,1-7H3.
What are the key properties of 2-[6-(methoxymethoxy)naphthalen-1-yl]ethynyl-tri(propan-2-yl)silane?
2-[6-(methoxymethoxy)naphthalen-1-yl]ethynyl-tri(propan-2-yl)silane has a molecular weight of 368.59 g/mol, XLogP of 6.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methoxymethoxy)naphthalen-1-yl]ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 172770532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).