1-(1-butylcyclohexyl)ethyl-hydroxy-oxophosphanium

C12H24O2P+ — CID 137351141

IUPAC1-(1-butylcyclohexyl)ethyl-hydroxy-oxophosphanium
SMILESCCCCC1(C(C)[P+](=O)O)CCCCC1
InChIInChI=1S/C12H23O2P/c1-3-4-8-12(11(2)15(13)14)9-6-5-7-10-12/h11H,3-10H2,1-2H3/p+1
InChIKeyLHEIOXCSAUHHEN-UHFFFAOYSA-O
MW231.30 g/mol
LogP4.25
Rot. Bonds5

About 1-(1-butylcyclohexyl)ethyl-hydroxy-oxophosphanium

1-(1-butylcyclohexyl)ethyl-hydroxy-oxophosphanium (PubChem CID 137351141) has the molecular formula C12H24O2P+ and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(1-butylcyclohexyl)ethyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name1-(1-butylcyclohexyl)ethyl-hydroxy-oxophosphanium
PubChem CID137351141
Molecular FormulaC12H24O2P+
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1-(1-butylcyclohexyl)ethyl-hydroxy-oxophosphanium
SMILESCCCCC1(C(C)[P+](=O)O)CCCCC1
InChIInChI=1S/C12H23O2P/c1-3-4-8-12(11(2)15(13)14)9-6-5-7-10-12/h11H,3-10H2,1-2H3/p+1
InChIKeyLHEIOXCSAUHHEN-UHFFFAOYSA-O
XLogP4.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(1-butylcyclohexyl)ethyl-hydroxy-oxophosphanium 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 1-(1-butylcyclohexyl)ethyl-hydroxy-oxophosphanium?
The IUPAC name of 1-(1-butylcyclohexyl)ethyl-hydroxy-oxophosphanium (CID 137351141) is 1-(1-butylcyclohexyl)ethyl-hydroxy-oxophosphanium.
What is the SMILES notation for 1-(1-butylcyclohexyl)ethyl-hydroxy-oxophosphanium?
The canonical SMILES for 1-(1-butylcyclohexyl)ethyl-hydroxy-oxophosphanium is CCCCC1(C(C)[P+](=O)O)CCCCC1.
What is the InChIKey of 1-(1-butylcyclohexyl)ethyl-hydroxy-oxophosphanium?
The InChIKey is LHEIOXCSAUHHEN-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H23O2P/c1-3-4-8-12(11(2)15(13)14)9-6-5-7-10-12/h11H,3-10H2,1-2H3/p+1.
What are the key properties of 1-(1-butylcyclohexyl)ethyl-hydroxy-oxophosphanium?
1-(1-butylcyclohexyl)ethyl-hydroxy-oxophosphanium has a molecular weight of 231.30 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylcyclohexyl)ethyl-hydroxy-oxophosphanium is sourced from PubChem (CID 137351141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).