1,1,3-trimethylphospholan-1-ium

C7H16P+ — CID 21436920

IUPAC1,1,3-trimethylphospholan-1-ium
SMILESCC1CC[P+](C)(C)C1
InChIInChI=1S/C7H16P/c1-7-4-5-8(2,3)6-7/h7H,4-6H2,1-3H3/q+1
InChIKeyJCCKUVPYNDSIKV-UHFFFAOYSA-N
MW131.18 g/mol
LogP2.30
Rot. Bonds

About 1,1,3-trimethylphospholan-1-ium

1,1,3-trimethylphospholan-1-ium (PubChem CID 21436920) has the molecular formula C7H16P+ and a molecular weight of 131.18 g/mol. Its IUPAC name is 1,1,3-trimethylphospholan-1-ium.

Molecular Properties

Compound Name1,1,3-trimethylphospholan-1-ium
PubChem CID21436920
Molecular FormulaC7H16P+
Molecular Weight131.18 g/mol
Exact Mass131.10
IUPAC Name1,1,3-trimethylphospholan-1-ium
SMILESCC1CC[P+](C)(C)C1
InChIInChI=1S/C7H16P/c1-7-4-5-8(2,3)6-7/h7H,4-6H2,1-3H3/q+1
InChIKeyJCCKUVPYNDSIKV-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 52.30
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

3,3,9,9-tetramethyl-3,9-diphosphoniabicyclo[4.4.1]undecane
CID 88848836
1,4-dimethylcyclohexane;methanol
CID 70358527
ethane;methylcyclopropane
CID 158329065
1,3-dimethyl-1-phenylphospholan-1-ium
CID 4220919
2,2,8,8-tetramethyl-2,8-diphosphoniabicyclo[4.4.1]undecane
CID 88848838
bis(1,4-dimethylcyclohexane);methane
CID 161326462
ethane;methane;methylcyclopropane
CID 159551011
(3R)-1,3-dimethylcyclopentane
CID 13119651
methylcyclopentane
CID 7296
cyclooctane;methylcyclobutane
CID 159456217
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975
1,3,6,8-tetramethylcyclodecane
CID 162455053

Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethylphospholan-1-ium?
The IUPAC name of 1,1,3-trimethylphospholan-1-ium (CID 21436920) is 1,1,3-trimethylphospholan-1-ium.
What is the SMILES notation for 1,1,3-trimethylphospholan-1-ium?
The canonical SMILES for 1,1,3-trimethylphospholan-1-ium is CC1CC[P+](C)(C)C1.
What is the InChIKey of 1,1,3-trimethylphospholan-1-ium?
The InChIKey is JCCKUVPYNDSIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16P/c1-7-4-5-8(2,3)6-7/h7H,4-6H2,1-3H3/q+1.
What are the key properties of 1,1,3-trimethylphospholan-1-ium?
1,1,3-trimethylphospholan-1-ium has a molecular weight of 131.18 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethylphospholan-1-ium is sourced from PubChem (CID 21436920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).