2-(4-bromophenoxy)oxane;trimethyl-[4-(oxan-2-yloxy)phenyl]silane

C25H35BrO4Si — CID 159621581

IUPAC2-(4-bromophenoxy)oxane;trimethyl-[4-(oxan-2-yloxy)phenyl]silane
SMILESBrc1ccc(OC2CCCCO2)cc1.C[Si](C)(C)c1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C14H22O2Si.C11H13BrO2/c1-17(2,3)13-9-7-12(8-10-13)16-14-6-4-5-11-15-14;12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h7-10,14H,4-6,11H2,1-3H3;4-7,11H,1-3,8H2
InChIKeyMNYNDTADGIBIHJ-UHFFFAOYSA-N
MW507.54 g/mol
LogP6.49
Rot. Bonds5

About 2-(4-bromophenoxy)oxane;trimethyl-[4-(oxan-2-yloxy)phenyl]silane

2-(4-bromophenoxy)oxane;trimethyl-[4-(oxan-2-yloxy)phenyl]silane (PubChem CID 159621581) has the molecular formula C25H35BrO4Si and a molecular weight of 507.54 g/mol. Its IUPAC name is 2-(4-bromophenoxy)oxane;trimethyl-[4-(oxan-2-yloxy)phenyl]silane.

Molecular Properties

Compound Name2-(4-bromophenoxy)oxane;trimethyl-[4-(oxan-2-yloxy)phenyl]silane
PubChem CID159621581
Molecular FormulaC25H35BrO4Si
Molecular Weight507.54 g/mol
Exact Mass506.15
IUPAC Name2-(4-bromophenoxy)oxane;trimethyl-[4-(oxan-2-yloxy)phenyl]silane
SMILESBrc1ccc(OC2CCCCO2)cc1.C[Si](C)(C)c1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C14H22O2Si.C11H13BrO2/c1-17(2,3)13-9-7-12(8-10-13)16-14-6-4-5-11-15-14;12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h7-10,14H,4-6,11H2,1-3H3;4-7,11H,1-3,8H2
InChIKeyMNYNDTADGIBIHJ-UHFFFAOYSA-N
XLogP6.49
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.54
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-bromophenoxy)oxane;trimethyl-[4-(oxan-2-yloxy)phenyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[1-(4-bromophenyl)-1-[4-(oxan-2-yloxy)phenyl]ethyl]phenoxy]oxane
CID 59724389
trimethyl-[4-(oxan-2-yloxy)phenyl]stannane
CID 11537422
triethoxy-[4-(oxan-2-yloxy)phenyl]silane
CID 71105884
4-(oxan-2-yloxy)phenol
CID 11745519
CID 168763543
CID 168763543
2-(3-bromophenoxy)oxane
CID 5067264
2-(4-methoxyphenoxy)oxolane
CID 135060561
4-(oxan-2-yloxy)benzoic acid
CID 11183645
(2R)-2-(4-phenylphenoxy)oxane
CID 95989396
1-[4-(oxan-2-yloxy)phenyl]ethanamine
CID 160804059
2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane
CID 11339567
2,3-dimethylbutane-2,3-diol;[4-(oxan-2-yloxy)phenoxy]boronic acid
CID 175556774

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)oxane;trimethyl-[4-(oxan-2-yloxy)phenyl]silane?
The IUPAC name of 2-(4-bromophenoxy)oxane;trimethyl-[4-(oxan-2-yloxy)phenyl]silane (CID 159621581) is 2-(4-bromophenoxy)oxane;trimethyl-[4-(oxan-2-yloxy)phenyl]silane.
What is the SMILES notation for 2-(4-bromophenoxy)oxane;trimethyl-[4-(oxan-2-yloxy)phenyl]silane?
The canonical SMILES for 2-(4-bromophenoxy)oxane;trimethyl-[4-(oxan-2-yloxy)phenyl]silane is Brc1ccc(OC2CCCCO2)cc1.C[Si](C)(C)c1ccc(OC2CCCCO2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)oxane;trimethyl-[4-(oxan-2-yloxy)phenyl]silane?
The InChIKey is MNYNDTADGIBIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2Si.C11H13BrO2/c1-17(2,3)13-9-7-12(8-10-13)16-14-6-4-5-11-15-14;12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h7-10,14H,4-6,11H2,1-3H3;4-7,11H,1-3,8H2.
What are the key properties of 2-(4-bromophenoxy)oxane;trimethyl-[4-(oxan-2-yloxy)phenyl]silane?
2-(4-bromophenoxy)oxane;trimethyl-[4-(oxan-2-yloxy)phenyl]silane has a molecular weight of 507.54 g/mol, XLogP of 6.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)oxane;trimethyl-[4-(oxan-2-yloxy)phenyl]silane is sourced from PubChem (CID 159621581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).