ditert-butyl-dichloro-ethyl-λ5-phosphane

C10H23Cl2P — CID 12603453

IUPACditert-butyl-dichloro-ethyl-λ5-phosphane
SMILESCCP(Cl)(Cl)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H23Cl2P/c1-8-13(11,12,9(2,3)4)10(5,6)7/h8H2,1-7H3
InChIKeyMHDURWKJCALMRE-UHFFFAOYSA-N
MW245.17 g/mol
LogP5.46
Rot. Bonds1

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

ditert-butyl-dichloro-ethyl-λ5-phosphane (PubChem CID 12603453) has the molecular formula C10H23Cl2P and a molecular weight of 245.17 g/mol. Its IUPAC name is ditert-butyl-dichloro-ethyl-λ5-phosphane.

Molecular Properties

Compound Nameditert-butyl-dichloro-ethyl-λ5-phosphane
PubChem CID12603453
Molecular FormulaC10H23Cl2P
Molecular Weight245.17 g/mol
Exact Mass244.09
IUPAC Nameditert-butyl-dichloro-ethyl-λ5-phosphane
SMILESCCP(Cl)(Cl)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C10H23Cl2P/c1-8-13(11,12,9(2,3)4)10(5,6)7/h8H2,1-7H3
InChIKeyMHDURWKJCALMRE-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.17
LogP ≤ 55.46
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 ditert-butyl-dichloro-ethyl-λ5-phosphane?
The IUPAC name of ditert-butyl-dichloro-ethyl-λ5-phosphane (CID 12603453) is ditert-butyl-dichloro-ethyl-λ5-phosphane.
What is the SMILES notation for ditert-butyl-dichloro-ethyl-λ5-phosphane?
The canonical SMILES for ditert-butyl-dichloro-ethyl-λ5-phosphane is CCP(Cl)(Cl)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-dichloro-ethyl-λ5-phosphane?
The InChIKey is MHDURWKJCALMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23Cl2P/c1-8-13(11,12,9(2,3)4)10(5,6)7/h8H2,1-7H3.
What are the key properties of ditert-butyl-dichloro-ethyl-λ5-phosphane?
ditert-butyl-dichloro-ethyl-λ5-phosphane has a molecular weight of 245.17 g/mol, XLogP of 5.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-dichloro-ethyl-λ5-phosphane is sourced from PubChem (CID 12603453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).