methylcyclohexane;phosphane;pentahydrochloride

C7H22Cl5P — CID 174057866

IUPACmethylcyclohexane;phosphane;pentahydrochloride
SMILESCC1CCCCC1.Cl.Cl.Cl.Cl.Cl.P
InChIInChI=1S/C7H14.5ClH.H3P/c1-7-5-3-2-4-6-7;;;;;;/h7H,2-6H2,1H3;5*1H;1H3
InChIKeyVPSMMAWQRHLJFZ-UHFFFAOYSA-N
MW314.49 g/mol
LogP4.75
Rot. Bonds

About methylcyclohexane;phosphane;pentahydrochloride

methylcyclohexane;phosphane;pentahydrochloride (PubChem CID 174057866) has the molecular formula C7H22Cl5P and a molecular weight of 314.49 g/mol. Its IUPAC name is methylcyclohexane;phosphane;pentahydrochloride.

Molecular Properties

Compound Namemethylcyclohexane;phosphane;pentahydrochloride
PubChem CID174057866
Molecular FormulaC7H22Cl5P
Molecular Weight314.49 g/mol
Exact Mass311.99
IUPAC Namemethylcyclohexane;phosphane;pentahydrochloride
SMILESCC1CCCCC1.Cl.Cl.Cl.Cl.Cl.P
InChIInChI=1S/C7H14.5ClH.H3P/c1-7-5-3-2-4-6-7;;;;;;/h7H,2-6H2,1H3;5*1H;1H3
InChIKeyVPSMMAWQRHLJFZ-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.49
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze methylcyclohexane;phosphane;pentahydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methylcyclohexane;phosphane;pentahydrochloride?
The IUPAC name of methylcyclohexane;phosphane;pentahydrochloride (CID 174057866) is methylcyclohexane;phosphane;pentahydrochloride.
What is the SMILES notation for methylcyclohexane;phosphane;pentahydrochloride?
The canonical SMILES for methylcyclohexane;phosphane;pentahydrochloride is CC1CCCCC1.Cl.Cl.Cl.Cl.Cl.P.
What is the InChIKey of methylcyclohexane;phosphane;pentahydrochloride?
The InChIKey is VPSMMAWQRHLJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.5ClH.H3P/c1-7-5-3-2-4-6-7;;;;;;/h7H,2-6H2,1H3;5*1H;1H3.
What are the key properties of methylcyclohexane;phosphane;pentahydrochloride?
methylcyclohexane;phosphane;pentahydrochloride has a molecular weight of 314.49 g/mol, XLogP of 4.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclohexane;phosphane;pentahydrochloride is sourced from PubChem (CID 174057866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).