(2-bromophenyl)methoxy-tri(propan-2-yl)silane

C16H27BrOSi — CID 18706297

IUPAC(2-bromophenyl)methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCc1ccccc1Br)(C(C)C)C(C)C
InChIInChI=1S/C16H27BrOSi/c1-12(2)19(13(3)4,14(5)6)18-11-15-9-7-8-10-16(15)17/h7-10,12-14H,11H2,1-6H3
InChIKeyGDBLXQFNGOONMT-UHFFFAOYSA-N
MW343.38 g/mol
LogP6.14
Rot. Bonds6

About (2-bromophenyl)methoxy-tri(propan-2-yl)silane

(2-bromophenyl)methoxy-tri(propan-2-yl)silane (PubChem CID 18706297) has the molecular formula C16H27BrOSi and a molecular weight of 343.38 g/mol. Its IUPAC name is (2-bromophenyl)methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(2-bromophenyl)methoxy-tri(propan-2-yl)silane
PubChem CID18706297
Molecular FormulaC16H27BrOSi
Molecular Weight343.38 g/mol
Exact Mass342.10
IUPAC Name(2-bromophenyl)methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCc1ccccc1Br)(C(C)C)C(C)C
InChIInChI=1S/C16H27BrOSi/c1-12(2)19(13(3)4,14(5)6)18-11-15-9-7-8-10-16(15)17/h7-10,12-14H,11H2,1-6H3
InChIKeyGDBLXQFNGOONMT-UHFFFAOYSA-N
XLogP6.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.38
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)methoxy-tri(propan-2-yl)silane?
The IUPAC name of (2-bromophenyl)methoxy-tri(propan-2-yl)silane (CID 18706297) is (2-bromophenyl)methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for (2-bromophenyl)methoxy-tri(propan-2-yl)silane?
The canonical SMILES for (2-bromophenyl)methoxy-tri(propan-2-yl)silane is CC(C)[Si](OCc1ccccc1Br)(C(C)C)C(C)C.
What is the InChIKey of (2-bromophenyl)methoxy-tri(propan-2-yl)silane?
The InChIKey is GDBLXQFNGOONMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrOSi/c1-12(2)19(13(3)4,14(5)6)18-11-15-9-7-8-10-16(15)17/h7-10,12-14H,11H2,1-6H3.
What are the key properties of (2-bromophenyl)methoxy-tri(propan-2-yl)silane?
(2-bromophenyl)methoxy-tri(propan-2-yl)silane has a molecular weight of 343.38 g/mol, XLogP of 6.14, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 18706297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).