butyl-ditert-butyl-dichloro-λ5-phosphane

C12H27Cl2P — CID 12603454

IUPACbutyl-ditert-butyl-dichloro-λ5-phosphane
SMILESCCCCP(Cl)(Cl)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27Cl2P/c1-8-9-10-15(13,14,11(2,3)4)12(5,6)7/h8-10H2,1-7H3
InChIKeyMJRYQPPYKRIKMD-UHFFFAOYSA-N
MW273.23 g/mol
LogP6.24
Rot. Bonds3

About butyl-ditert-butyl-dichloro-λ5-phosphane

butyl-ditert-butyl-dichloro-λ5-phosphane (PubChem CID 12603454) has the molecular formula C12H27Cl2P and a molecular weight of 273.23 g/mol. Its IUPAC name is butyl-ditert-butyl-dichloro-λ5-phosphane.

Molecular Properties

Compound Namebutyl-ditert-butyl-dichloro-λ5-phosphane
PubChem CID12603454
Molecular FormulaC12H27Cl2P
Molecular Weight273.23 g/mol
Exact Mass272.12
IUPAC Namebutyl-ditert-butyl-dichloro-λ5-phosphane
SMILESCCCCP(Cl)(Cl)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27Cl2P/c1-8-9-10-15(13,14,11(2,3)4)12(5,6)7/h8-10H2,1-7H3
InChIKeyMJRYQPPYKRIKMD-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.23
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl-ditert-butyl-dichloro-λ5-phosphane?
The IUPAC name of butyl-ditert-butyl-dichloro-λ5-phosphane (CID 12603454) is butyl-ditert-butyl-dichloro-λ5-phosphane.
What is the SMILES notation for butyl-ditert-butyl-dichloro-λ5-phosphane?
The canonical SMILES for butyl-ditert-butyl-dichloro-λ5-phosphane is CCCCP(Cl)(Cl)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of butyl-ditert-butyl-dichloro-λ5-phosphane?
The InChIKey is MJRYQPPYKRIKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27Cl2P/c1-8-9-10-15(13,14,11(2,3)4)12(5,6)7/h8-10H2,1-7H3.
What are the key properties of butyl-ditert-butyl-dichloro-λ5-phosphane?
butyl-ditert-butyl-dichloro-λ5-phosphane has a molecular weight of 273.23 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-ditert-butyl-dichloro-λ5-phosphane is sourced from PubChem (CID 12603454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).