[(4R,5R)-4,5-dichloro-7-phenylheptoxy]-tri(propan-2-yl)silane

C22H38Cl2OSi — CID 86287479

IUPAC[(4R,5R)-4,5-dichloro-7-phenylheptoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCCC[C@@H](Cl)[C@H](Cl)CCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C22H38Cl2OSi/c1-17(2)26(18(3)4,19(5)6)25-16-10-13-21(23)22(24)15-14-20-11-8-7-9-12-20/h7-9,11-12,17-19,21-22H,10,13-16H2,1-6H3/t21-,22-/m1/s1
InChIKeyKBRZIVDRTOUZMJ-FGZHOGPDSA-N
MW417.54 g/mol
LogP7.81
Rot. Bonds12

About [(4R,5R)-4,5-dichloro-7-phenylheptoxy]-tri(propan-2-yl)silane

[(4R,5R)-4,5-dichloro-7-phenylheptoxy]-tri(propan-2-yl)silane (PubChem CID 86287479) has the molecular formula C22H38Cl2OSi and a molecular weight of 417.54 g/mol. Its IUPAC name is [(4R,5R)-4,5-dichloro-7-phenylheptoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(4R,5R)-4,5-dichloro-7-phenylheptoxy]-tri(propan-2-yl)silane
PubChem CID86287479
Molecular FormulaC22H38Cl2OSi
Molecular Weight417.54 g/mol
Exact Mass416.21
IUPAC Name[(4R,5R)-4,5-dichloro-7-phenylheptoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCCC[C@@H](Cl)[C@H](Cl)CCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C22H38Cl2OSi/c1-17(2)26(18(3)4,19(5)6)25-16-10-13-21(23)22(24)15-14-20-11-8-7-9-12-20/h7-9,11-12,17-19,21-22H,10,13-16H2,1-6H3/t21-,22-/m1/s1
InChIKeyKBRZIVDRTOUZMJ-FGZHOGPDSA-N
XLogP7.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.54
LogP ≤ 57.81
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'}

Analyze [(4R,5R)-4,5-dichloro-7-phenylheptoxy]-tri(propan-2-yl)silane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-4,5-dichloro-7-phenylheptoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(4R,5R)-4,5-dichloro-7-phenylheptoxy]-tri(propan-2-yl)silane (CID 86287479) is [(4R,5R)-4,5-dichloro-7-phenylheptoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(4R,5R)-4,5-dichloro-7-phenylheptoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(4R,5R)-4,5-dichloro-7-phenylheptoxy]-tri(propan-2-yl)silane is CC(C)[Si](OCCC[C@@H](Cl)[C@H](Cl)CCc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of [(4R,5R)-4,5-dichloro-7-phenylheptoxy]-tri(propan-2-yl)silane?
The InChIKey is KBRZIVDRTOUZMJ-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H38Cl2OSi/c1-17(2)26(18(3)4,19(5)6)25-16-10-13-21(23)22(24)15-14-20-11-8-7-9-12-20/h7-9,11-12,17-19,21-22H,10,13-16H2,1-6H3/t21-,22-/m1/s1.
What are the key properties of [(4R,5R)-4,5-dichloro-7-phenylheptoxy]-tri(propan-2-yl)silane?
[(4R,5R)-4,5-dichloro-7-phenylheptoxy]-tri(propan-2-yl)silane has a molecular weight of 417.54 g/mol, XLogP of 7.81, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-4,5-dichloro-7-phenylheptoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 86287479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).