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

C33H50OSi2 — CID 169049968

IUPAC2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane
SMILESCOc1c(C#C[Si](C(C)C)(C(C)C)C(C)C)ccc2cc(C#C[Si](C(C)C)(C(C)C)C(C)C)ccc12
InChIInChI=1S/C33H50OSi2/c1-23(2)35(24(3)4,25(5)6)20-18-29-14-17-32-31(22-29)16-15-30(33(32)34-13)19-21-36(26(7)8,27(9)10)28(11)12/h14-17,22-28H,1-13H3
InChIKeyXEFRLKDROPLSHV-UHFFFAOYSA-N
MW518.93 g/mol
LogP9.99
Rot. Bonds7

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

2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane (PubChem CID 169049968) has the molecular formula C33H50OSi2 and a molecular weight of 518.93 g/mol. Its IUPAC name is 2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane
PubChem CID169049968
Molecular FormulaC33H50OSi2
Molecular Weight518.93 g/mol
Exact Mass518.34
IUPAC Name2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane
SMILESCOc1c(C#C[Si](C(C)C)(C(C)C)C(C)C)ccc2cc(C#C[Si](C(C)C)(C(C)C)C(C)C)ccc12
InChIInChI=1S/C33H50OSi2/c1-23(2)35(24(3)4,25(5)6)20-18-29-14-17-32-31(22-29)16-15-30(33(32)34-13)19-21-36(26(7)8,27(9)10)28(11)12/h14-17,22-28H,1-13H3
InChIKeyXEFRLKDROPLSHV-UHFFFAOYSA-N
XLogP9.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.93
LogP ≤ 59.99
H-Bond Donors ≤ 50
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 2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane (CID 169049968) is 2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane is COc1c(C#C[Si](C(C)C)(C(C)C)C(C)C)ccc2cc(C#C[Si](C(C)C)(C(C)C)C(C)C)ccc12.
What is the InChIKey of 2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane?
The InChIKey is XEFRLKDROPLSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H50OSi2/c1-23(2)35(24(3)4,25(5)6)20-18-29-14-17-32-31(22-29)16-15-30(33(32)34-13)19-21-36(26(7)8,27(9)10)28(11)12/h14-17,22-28H,1-13H3.
What are the key properties of 2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane?
2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane has a molecular weight of 518.93 g/mol, XLogP of 9.99, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methoxy-6-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 169049968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).