2-(1-acetyloxycyclohexyl)ethyl-chloro-oxophosphanium

C10H17ClO3P+ — CID 71370243

IUPAC2-(1-acetyloxycyclohexyl)ethyl-chloro-oxophosphanium
SMILESCC(=O)OC1(CC[P+](=O)Cl)CCCCC1
InChIInChI=1S/C10H17ClO3P/c1-9(12)14-10(7-8-15(11)13)5-3-2-4-6-10/h2-8H2,1H3/q+1
InChIKeyDSSQIYAYUFCUMY-UHFFFAOYSA-N
MW251.67 g/mol
LogP3.62
Rot. Bonds4

About 2-(1-acetyloxycyclohexyl)ethyl-chloro-oxophosphanium

2-(1-acetyloxycyclohexyl)ethyl-chloro-oxophosphanium (PubChem CID 71370243) has the molecular formula C10H17ClO3P+ and a molecular weight of 251.67 g/mol. Its IUPAC name is 2-(1-acetyloxycyclohexyl)ethyl-chloro-oxophosphanium.

Molecular Properties

Compound Name2-(1-acetyloxycyclohexyl)ethyl-chloro-oxophosphanium
PubChem CID71370243
Molecular FormulaC10H17ClO3P+
Molecular Weight251.67 g/mol
Exact Mass251.06
IUPAC Name2-(1-acetyloxycyclohexyl)ethyl-chloro-oxophosphanium
SMILESCC(=O)OC1(CC[P+](=O)Cl)CCCCC1
InChIInChI=1S/C10H17ClO3P/c1-9(12)14-10(7-8-15(11)13)5-3-2-4-6-10/h2-8H2,1H3/q+1
InChIKeyDSSQIYAYUFCUMY-UHFFFAOYSA-N
XLogP3.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-acetyloxycyclohexyl)ethyl-chloro-oxophosphanium with MolForge

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

Launch Full Analysis

Related Compounds

[1-(isocyanatomethyl)cyclohexyl] acetate
CID 87786975
[1-(2-morpholin-4-ylethyl)cyclopentyl] acetate
CID 91522292
ethyl 5-(1-acetyloxycyclohexyl)-3-ethoxypentanoate
CID 10335798
(1-hydroxycyclooctyl) acetate
CID 91039609
(1-methylcyclohexyl) acetate;propane
CID 143035856
[1-(4-aminobutyl)cyclohexyl] (2S)-2-aminopropanoate
CID 174873323
(1-propylcyclononyl) prop-2-enoate
CID 141276110
bis(1-pentylcyclohexyl) butanedioate
CID 174843513
sodium;hydride;[1-(sulfanylmethyl)cyclopropyl] acetate
CID 173069746
(1-pentylcyclohexyl) butanoate
CID 101311537
(1-propa-1,2-dienylcyclooctyl) acetate
CID 102074040
(1-butylcyclopentyl) 2-methylbutanoate
CID 58776787

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetyloxycyclohexyl)ethyl-chloro-oxophosphanium?
The IUPAC name of 2-(1-acetyloxycyclohexyl)ethyl-chloro-oxophosphanium (CID 71370243) is 2-(1-acetyloxycyclohexyl)ethyl-chloro-oxophosphanium.
What is the SMILES notation for 2-(1-acetyloxycyclohexyl)ethyl-chloro-oxophosphanium?
The canonical SMILES for 2-(1-acetyloxycyclohexyl)ethyl-chloro-oxophosphanium is CC(=O)OC1(CC[P+](=O)Cl)CCCCC1.
What is the InChIKey of 2-(1-acetyloxycyclohexyl)ethyl-chloro-oxophosphanium?
The InChIKey is DSSQIYAYUFCUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO3P/c1-9(12)14-10(7-8-15(11)13)5-3-2-4-6-10/h2-8H2,1H3/q+1.
What are the key properties of 2-(1-acetyloxycyclohexyl)ethyl-chloro-oxophosphanium?
2-(1-acetyloxycyclohexyl)ethyl-chloro-oxophosphanium has a molecular weight of 251.67 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetyloxycyclohexyl)ethyl-chloro-oxophosphanium is sourced from PubChem (CID 71370243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).