dichloro-hydroxy-di(propan-2-yl)-λ5-phosphane

C6H15Cl2OP — CID 90237519

IUPACdichloro-hydroxy-di(propan-2-yl)-λ5-phosphane
SMILESCC(C)P(O)(Cl)(Cl)C(C)C
InChIInChI=1S/C6H15Cl2OP/c1-5(2)10(7,8,9)6(3)4/h5-6,9H,1-4H3
InChIKeyKQTJYEHCNCVUDE-UHFFFAOYSA-N
MW205.06 g/mol
LogP3.57
Rot. Bonds2

About dichloro-hydroxy-di(propan-2-yl)-λ5-phosphane

dichloro-hydroxy-di(propan-2-yl)-λ5-phosphane (PubChem CID 90237519) has the molecular formula C6H15Cl2OP and a molecular weight of 205.06 g/mol. Its IUPAC name is dichloro-hydroxy-di(propan-2-yl)-λ5-phosphane.

Molecular Properties

Compound Namedichloro-hydroxy-di(propan-2-yl)-λ5-phosphane
PubChem CID90237519
Molecular FormulaC6H15Cl2OP
Molecular Weight205.06 g/mol
Exact Mass204.02
IUPAC Namedichloro-hydroxy-di(propan-2-yl)-λ5-phosphane
SMILESCC(C)P(O)(Cl)(Cl)C(C)C
InChIInChI=1S/C6H15Cl2OP/c1-5(2)10(7,8,9)6(3)4/h5-6,9H,1-4H3
InChIKeyKQTJYEHCNCVUDE-UHFFFAOYSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.06
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloro-hydroxy-di(propan-2-yl)-λ5-phosphane?
The IUPAC name of dichloro-hydroxy-di(propan-2-yl)-λ5-phosphane (CID 90237519) is dichloro-hydroxy-di(propan-2-yl)-λ5-phosphane.
What is the SMILES notation for dichloro-hydroxy-di(propan-2-yl)-λ5-phosphane?
The canonical SMILES for dichloro-hydroxy-di(propan-2-yl)-λ5-phosphane is CC(C)P(O)(Cl)(Cl)C(C)C.
What is the InChIKey of dichloro-hydroxy-di(propan-2-yl)-λ5-phosphane?
The InChIKey is KQTJYEHCNCVUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15Cl2OP/c1-5(2)10(7,8,9)6(3)4/h5-6,9H,1-4H3.
What are the key properties of dichloro-hydroxy-di(propan-2-yl)-λ5-phosphane?
dichloro-hydroxy-di(propan-2-yl)-λ5-phosphane has a molecular weight of 205.06 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-hydroxy-di(propan-2-yl)-λ5-phosphane is sourced from PubChem (CID 90237519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).