1-methylphosphinane

C6H13P — CID 637962

IUPAC1-methylphosphinane
SMILESCP1CCCCC1
InChIInChI=1S/C6H13P/c1-7-5-3-2-4-6-7/h2-6H2,1H3
InChIKeyWKJBDCNEMDIONX-UHFFFAOYSA-N
MW116.14 g/mol
LogP2.28
Rot. Bonds

About 1-methylphosphinane

1-methylphosphinane (PubChem CID 637962) has the molecular formula C6H13P and a molecular weight of 116.14 g/mol. Its IUPAC name is 1-methylphosphinane.

Molecular Properties

Compound Name1-methylphosphinane
PubChem CID637962
Molecular FormulaC6H13P
Molecular Weight116.14 g/mol
Exact Mass116.08
IUPAC Name1-methylphosphinane
SMILESCP1CCCCC1
InChIInChI=1S/C6H13P/c1-7-5-3-2-4-6-7/h2-6H2,1H3
InChIKeyWKJBDCNEMDIONX-UHFFFAOYSA-N
XLogP2.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Phoshorinane
CID 138339
1-(Propan-2-yl)phosphinane
CID 15608185
2-Methylphosphinane
CID 85886721
6-Phosphorane
CID 14915860
Thiophosphane
CID 129766671
1-Fluoro-1-methylphosphinan-1-ium
CID 156737656
1,1-Dimethylphosphinan-1-ium
CID 357582
1-Ethylphosphoranine
CID 643545
1-Methyl-1-methylidene-1lambda5-phosphinane
CID 12477938
1-Ethyl-1-sulfanylidene-1lambda5-phosphinane
CID 21677598
1-Bromophosphinane
CID 129799529
1,3-Dimethyl-1,3-diphosphinane
CID 129868317

Frequently Asked Questions

What is the IUPAC name of 1-methylphosphinane?
The IUPAC name of 1-methylphosphinane (CID 637962) is 1-methylphosphinane.
What is the SMILES notation for 1-methylphosphinane?
The canonical SMILES for 1-methylphosphinane is CP1CCCCC1.
What is the InChIKey of 1-methylphosphinane?
The InChIKey is WKJBDCNEMDIONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13P/c1-7-5-3-2-4-6-7/h2-6H2,1H3.
What are the key properties of 1-methylphosphinane?
1-methylphosphinane has a molecular weight of 116.14 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylphosphinane is sourced from PubChem (CID 637962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).