(2-bromo-1,1-diphenoxyethyl)silane

C14H15BrO2Si — CID 173116529

IUPAC(2-bromo-1,1-diphenoxyethyl)silane
SMILES[SiH3]C(CBr)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C14H15BrO2Si/c15-11-14(18,16-12-7-3-1-4-8-12)17-13-9-5-2-6-10-13/h1-10H,11H2,18H3
InChIKeyBLONAXGUURAWPK-UHFFFAOYSA-N
MW323.26 g/mol
LogP2.56
Rot. Bonds5

About (2-bromo-1,1-diphenoxyethyl)silane

(2-bromo-1,1-diphenoxyethyl)silane (PubChem CID 173116529) has the molecular formula C14H15BrO2Si and a molecular weight of 323.26 g/mol. Its IUPAC name is (2-bromo-1,1-diphenoxyethyl)silane.

Molecular Properties

Compound Name(2-bromo-1,1-diphenoxyethyl)silane
PubChem CID173116529
Molecular FormulaC14H15BrO2Si
Molecular Weight323.26 g/mol
Exact Mass322.00
IUPAC Name(2-bromo-1,1-diphenoxyethyl)silane
SMILES[SiH3]C(CBr)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C14H15BrO2Si/c15-11-14(18,16-12-7-3-1-4-8-12)17-13-9-5-2-6-10-13/h1-10H,11H2,18H3
InChIKeyBLONAXGUURAWPK-UHFFFAOYSA-N
XLogP2.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-bromo-1,1-difluoroethoxy)benzene
CID 141224533
1,1,4-tribromobutoxybenzene
CID 141137005
triiodomethoxybenzene
CID 70252618
3,3,3-tribromo-1-chloro-1-phenoxypropan-1-ol
CID 141301187
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 159885563
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 161423888
trifluoromethoxybenzene
CID 157402708
triphenoxymethylphosphane
CID 18472089
(2-methylpropan-2-yl)oxybenzene;propane
CID 169265117
2,2-dibromo-2-phenoxyacetic acid
CID 154192322
1,1,2,3,3-pentabromoprop-2-enoxybenzene
CID 57144642
trifluoromethoxybenzene fluoride
CID 158305019

Frequently Asked Questions

What is the IUPAC name of (2-bromo-1,1-diphenoxyethyl)silane?
The IUPAC name of (2-bromo-1,1-diphenoxyethyl)silane (CID 173116529) is (2-bromo-1,1-diphenoxyethyl)silane.
What is the SMILES notation for (2-bromo-1,1-diphenoxyethyl)silane?
The canonical SMILES for (2-bromo-1,1-diphenoxyethyl)silane is [SiH3]C(CBr)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of (2-bromo-1,1-diphenoxyethyl)silane?
The InChIKey is BLONAXGUURAWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO2Si/c15-11-14(18,16-12-7-3-1-4-8-12)17-13-9-5-2-6-10-13/h1-10H,11H2,18H3.
What are the key properties of (2-bromo-1,1-diphenoxyethyl)silane?
(2-bromo-1,1-diphenoxyethyl)silane has a molecular weight of 323.26 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1,1-diphenoxyethyl)silane is sourced from PubChem (CID 173116529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).