methane;phosphane

C33H135P — CID 157457891

IUPACmethane;phosphane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.P
InChIInChI=1S/33CH4.H3P/h33*1H4;1H3
InChIKeyBTOQJIASNUQCLH-UHFFFAOYSA-N
MW563.42 g/mol
LogP21.05
Rot. Bonds

About methane;phosphane

methane;phosphane (PubChem CID 157457891) has the molecular formula C33H135P and a molecular weight of 563.42 g/mol. Its IUPAC name is methane;phosphane.

Molecular Properties

Compound Namemethane;phosphane
PubChem CID157457891
Molecular FormulaC33H135P
Molecular Weight563.42 g/mol
Exact Mass563.03
IUPAC Namemethane;phosphane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.P
InChIInChI=1S/33CH4.H3P/h33*1H4;1H3
InChIKeyBTOQJIASNUQCLH-UHFFFAOYSA-N
XLogP21.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.42
LogP ≤ 521.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze methane;phosphane 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 methane;phosphane?
The IUPAC name of methane;phosphane (CID 157457891) is methane;phosphane.
What is the SMILES notation for methane;phosphane?
The canonical SMILES for methane;phosphane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.P.
What is the InChIKey of methane;phosphane?
The InChIKey is BTOQJIASNUQCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/33CH4.H3P/h33*1H4;1H3.
What are the key properties of methane;phosphane?
methane;phosphane has a molecular weight of 563.42 g/mol, XLogP of 21.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;phosphane is sourced from PubChem (CID 157457891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).