chloro-[chloro-bis(trimethylsilyl)methyl]-phenylphosphane

C13H23Cl2PSi2 — CID 12756769

IUPACchloro-[chloro-bis(trimethylsilyl)methyl]-phenylphosphane
SMILESC[Si](C)(C)C(Cl)(P(Cl)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C13H23Cl2PSi2/c1-17(2,3)13(14,18(4,5)6)16(15)12-10-8-7-9-11-12/h7-11H,1-6H3
InChIKeyZEPMXNRYCFVSNI-UHFFFAOYSA-N
MW337.38 g/mol
LogP5.64
Rot. Bonds4

About chloro-[chloro-bis(trimethylsilyl)methyl]-phenylphosphane

chloro-[chloro-bis(trimethylsilyl)methyl]-phenylphosphane (PubChem CID 12756769) has the molecular formula C13H23Cl2PSi2 and a molecular weight of 337.38 g/mol. Its IUPAC name is chloro-[chloro-bis(trimethylsilyl)methyl]-phenylphosphane.

Molecular Properties

Compound Namechloro-[chloro-bis(trimethylsilyl)methyl]-phenylphosphane
PubChem CID12756769
Molecular FormulaC13H23Cl2PSi2
Molecular Weight337.38 g/mol
Exact Mass336.05
IUPAC Namechloro-[chloro-bis(trimethylsilyl)methyl]-phenylphosphane
SMILESC[Si](C)(C)C(Cl)(P(Cl)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C13H23Cl2PSi2/c1-17(2,3)13(14,18(4,5)6)16(15)12-10-8-7-9-11-12/h7-11H,1-6H3
InChIKeyZEPMXNRYCFVSNI-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.38
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

phenyl-bis(trimethylsilyl)phosphane
CID 12518000
[[bis(trimethylsilyl)amino]-chlorophosphanyl]benzene
CID 585529
(1-chloro-1-diphenylphosphanylbutyl)-diphenylphosphane
CID 87672181
[tert-butyl(dimethyl)silyl]-diphenylphosphane
CID 11185679
bis[tert-butyl(phenyl)phosphanyl]-trimethylsilylphosphane
CID 15264778
chloro-phenyl-propan-2-ylphosphane
CID 10867074
2,2-dimethylpropane;triphenylphosphane
CID 143924519
ethane;triphenylphosphane
CID 90942156
phenyl-bis[4-(trichloromethyl)phenyl]phosphane
CID 56997269
(2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;nickel(2+)
CID 131716311
bis(diphenylphosphanylmethyl)-trimethylsilylphosphane
CID 578775
(2,2-dichloro-3-diphenylphosphanylpropyl)-diphenylphosphane;palladium
CID 175711479

Frequently Asked Questions

What is the IUPAC name of chloro-[chloro-bis(trimethylsilyl)methyl]-phenylphosphane?
The IUPAC name of chloro-[chloro-bis(trimethylsilyl)methyl]-phenylphosphane (CID 12756769) is chloro-[chloro-bis(trimethylsilyl)methyl]-phenylphosphane.
What is the SMILES notation for chloro-[chloro-bis(trimethylsilyl)methyl]-phenylphosphane?
The canonical SMILES for chloro-[chloro-bis(trimethylsilyl)methyl]-phenylphosphane is C[Si](C)(C)C(Cl)(P(Cl)c1ccccc1)[Si](C)(C)C.
What is the InChIKey of chloro-[chloro-bis(trimethylsilyl)methyl]-phenylphosphane?
The InChIKey is ZEPMXNRYCFVSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23Cl2PSi2/c1-17(2,3)13(14,18(4,5)6)16(15)12-10-8-7-9-11-12/h7-11H,1-6H3.
What are the key properties of chloro-[chloro-bis(trimethylsilyl)methyl]-phenylphosphane?
chloro-[chloro-bis(trimethylsilyl)methyl]-phenylphosphane has a molecular weight of 337.38 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[chloro-bis(trimethylsilyl)methyl]-phenylphosphane is sourced from PubChem (CID 12756769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).