[6-bromo-5-(1-bromonaphthalen-2-yl)hexoxy]-tri(propan-2-yl)silane

C25H38Br2OSi — CID 135051016

IUPAC[6-bromo-5-(1-bromonaphthalen-2-yl)hexoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCCCCC(CBr)c1ccc2ccccc2c1Br)(C(C)C)C(C)C
InChIInChI=1S/C25H38Br2OSi/c1-18(2)29(19(3)4,20(5)6)28-16-10-9-12-22(17-26)24-15-14-21-11-7-8-13-23(21)25(24)27/h7-8,11,13-15,18-20,22H,9-10,12,16-17H2,1-6H3
InChIKeyDCNNMOTZQJVVGU-UHFFFAOYSA-N
MW542.47 g/mol
LogP9.44
Rot. Bonds11

About [6-bromo-5-(1-bromonaphthalen-2-yl)hexoxy]-tri(propan-2-yl)silane

[6-bromo-5-(1-bromonaphthalen-2-yl)hexoxy]-tri(propan-2-yl)silane (PubChem CID 135051016) has the molecular formula C25H38Br2OSi and a molecular weight of 542.47 g/mol. Its IUPAC name is [6-bromo-5-(1-bromonaphthalen-2-yl)hexoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[6-bromo-5-(1-bromonaphthalen-2-yl)hexoxy]-tri(propan-2-yl)silane
PubChem CID135051016
Molecular FormulaC25H38Br2OSi
Molecular Weight542.47 g/mol
Exact Mass540.11
IUPAC Name[6-bromo-5-(1-bromonaphthalen-2-yl)hexoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCCCCC(CBr)c1ccc2ccccc2c1Br)(C(C)C)C(C)C
InChIInChI=1S/C25H38Br2OSi/c1-18(2)29(19(3)4,20(5)6)28-16-10-9-12-22(17-26)24-15-14-21-11-7-8-13-23(21)25(24)27/h7-8,11,13-15,18-20,22H,9-10,12,16-17H2,1-6H3
InChIKeyDCNNMOTZQJVVGU-UHFFFAOYSA-N
XLogP9.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.47
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-bromo-5-(1-bromonaphthalen-2-yl)hexoxy]-tri(propan-2-yl)silane?
The IUPAC name of [6-bromo-5-(1-bromonaphthalen-2-yl)hexoxy]-tri(propan-2-yl)silane (CID 135051016) is [6-bromo-5-(1-bromonaphthalen-2-yl)hexoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [6-bromo-5-(1-bromonaphthalen-2-yl)hexoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [6-bromo-5-(1-bromonaphthalen-2-yl)hexoxy]-tri(propan-2-yl)silane is CC(C)[Si](OCCCCC(CBr)c1ccc2ccccc2c1Br)(C(C)C)C(C)C.
What is the InChIKey of [6-bromo-5-(1-bromonaphthalen-2-yl)hexoxy]-tri(propan-2-yl)silane?
The InChIKey is DCNNMOTZQJVVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38Br2OSi/c1-18(2)29(19(3)4,20(5)6)28-16-10-9-12-22(17-26)24-15-14-21-11-7-8-13-23(21)25(24)27/h7-8,11,13-15,18-20,22H,9-10,12,16-17H2,1-6H3.
What are the key properties of [6-bromo-5-(1-bromonaphthalen-2-yl)hexoxy]-tri(propan-2-yl)silane?
[6-bromo-5-(1-bromonaphthalen-2-yl)hexoxy]-tri(propan-2-yl)silane has a molecular weight of 542.47 g/mol, XLogP of 9.44, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-5-(1-bromonaphthalen-2-yl)hexoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 135051016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).