bis(2-methylpentyl)phosphane;hydrochloride

C12H28ClP — CID 155095340

IUPACbis(2-methylpentyl)phosphane;hydrochloride
SMILESCCCC(C)CPCC(C)CCC.Cl
InChIInChI=1S/C12H27P.ClH/c1-5-7-11(3)9-13-10-12(4)8-6-2;/h11-13H,5-10H2,1-4H3;1H
InChIKeyZPHGLGZHHPTNJA-UHFFFAOYSA-N
MW238.78 g/mol
LogP4.96
Rot. Bonds8

About bis(2-methylpentyl)phosphane;hydrochloride

bis(2-methylpentyl)phosphane;hydrochloride (PubChem CID 155095340) has the molecular formula C12H28ClP and a molecular weight of 238.78 g/mol. Its IUPAC name is bis(2-methylpentyl)phosphane;hydrochloride.

Molecular Properties

Compound Namebis(2-methylpentyl)phosphane;hydrochloride
PubChem CID155095340
Molecular FormulaC12H28ClP
Molecular Weight238.78 g/mol
Exact Mass238.16
IUPAC Namebis(2-methylpentyl)phosphane;hydrochloride
SMILESCCCC(C)CPCC(C)CCC.Cl
InChIInChI=1S/C12H27P.ClH/c1-5-7-11(3)9-13-10-12(4)8-6-2;/h11-13H,5-10H2,1-4H3;1H
InChIKeyZPHGLGZHHPTNJA-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.78
LogP ≤ 54.96
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 bis(2-methylpentyl)phosphane;hydrochloride?
The IUPAC name of bis(2-methylpentyl)phosphane;hydrochloride (CID 155095340) is bis(2-methylpentyl)phosphane;hydrochloride.
What is the SMILES notation for bis(2-methylpentyl)phosphane;hydrochloride?
The canonical SMILES for bis(2-methylpentyl)phosphane;hydrochloride is CCCC(C)CPCC(C)CCC.Cl.
What is the InChIKey of bis(2-methylpentyl)phosphane;hydrochloride?
The InChIKey is ZPHGLGZHHPTNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27P.ClH/c1-5-7-11(3)9-13-10-12(4)8-6-2;/h11-13H,5-10H2,1-4H3;1H.
What are the key properties of bis(2-methylpentyl)phosphane;hydrochloride?
bis(2-methylpentyl)phosphane;hydrochloride has a molecular weight of 238.78 g/mol, XLogP of 4.96, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpentyl)phosphane;hydrochloride is sourced from PubChem (CID 155095340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).