butyl-dichloro-ethyl-methyl-λ5-phosphane

C7H17Cl2P — CID 54174146

IUPACbutyl-dichloro-ethyl-methyl-λ5-phosphane
SMILESCCCCP(C)(Cl)(Cl)CC
InChIInChI=1S/C7H17Cl2P/c1-4-6-7-10(3,8,9)5-2/h4-7H2,1-3H3
InChIKeyOXBLPOZIYYIPCP-UHFFFAOYSA-N
MW203.09 g/mol
LogP4.30
Rot. Bonds4

About butyl-dichloro-ethyl-methyl-λ5-phosphane

butyl-dichloro-ethyl-methyl-λ5-phosphane (PubChem CID 54174146) has the molecular formula C7H17Cl2P and a molecular weight of 203.09 g/mol. Its IUPAC name is butyl-dichloro-ethyl-methyl-λ5-phosphane.

Molecular Properties

Compound Namebutyl-dichloro-ethyl-methyl-λ5-phosphane
PubChem CID54174146
Molecular FormulaC7H17Cl2P
Molecular Weight203.09 g/mol
Exact Mass202.04
IUPAC Namebutyl-dichloro-ethyl-methyl-λ5-phosphane
SMILESCCCCP(C)(Cl)(Cl)CC
InChIInChI=1S/C7H17Cl2P/c1-4-6-7-10(3,8,9)5-2/h4-7H2,1-3H3
InChIKeyOXBLPOZIYYIPCP-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.09
LogP ≤ 54.30
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-dichloro-ethyl-methyl-λ5-phosphane?
The IUPAC name of butyl-dichloro-ethyl-methyl-λ5-phosphane (CID 54174146) is butyl-dichloro-ethyl-methyl-λ5-phosphane.
What is the SMILES notation for butyl-dichloro-ethyl-methyl-λ5-phosphane?
The canonical SMILES for butyl-dichloro-ethyl-methyl-λ5-phosphane is CCCCP(C)(Cl)(Cl)CC.
What is the InChIKey of butyl-dichloro-ethyl-methyl-λ5-phosphane?
The InChIKey is OXBLPOZIYYIPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17Cl2P/c1-4-6-7-10(3,8,9)5-2/h4-7H2,1-3H3.
What are the key properties of butyl-dichloro-ethyl-methyl-λ5-phosphane?
butyl-dichloro-ethyl-methyl-λ5-phosphane has a molecular weight of 203.09 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dichloro-ethyl-methyl-λ5-phosphane is sourced from PubChem (CID 54174146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).