cyclohexyl-(dichloromethyl)-ethoxy-sulfanylidene-lambda5-phosphane

C9H17Cl2OPS — CID 11864446

IUPACcyclohexyl-(dichloromethyl)-ethoxy-sulfanylidene-lambda5-phosphane
SMILESCCO[P@@](=S)(C(Cl)Cl)C1CCCCC1
InChIInChI=1S/C9H17Cl2OPS/c1-2-12-13(14,9(10)11)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3/t13-/m0/s1
InChIKeyLSVGLFYOINQYJF-ZDUSSCGKSA-N
MW275.18 g/mol
LogP4.51
Rot. Bonds4

About cyclohexyl-(dichloromethyl)-ethoxy-sulfanylidene-lambda5-phosphane

cyclohexyl-(dichloromethyl)-ethoxy-sulfanylidene-lambda5-phosphane (PubChem CID 11864446) has the molecular formula C9H17Cl2OPS and a molecular weight of 275.18 g/mol. Its IUPAC name is cyclohexyl-(dichloromethyl)-ethoxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namecyclohexyl-(dichloromethyl)-ethoxy-sulfanylidene-lambda5-phosphane
PubChem CID11864446
Molecular FormulaC9H17Cl2OPS
Molecular Weight275.18 g/mol
Exact Mass274.01
IUPAC Namecyclohexyl-(dichloromethyl)-ethoxy-sulfanylidene-lambda5-phosphane
SMILESCCO[P@@](=S)(C(Cl)Cl)C1CCCCC1
InChIInChI=1S/C9H17Cl2OPS/c1-2-12-13(14,9(10)11)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3/t13-/m0/s1
InChIKeyLSVGLFYOINQYJF-ZDUSSCGKSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane
CID 87645373
[ethoxy(ethyl)phosphoryl]cyclohexane
CID 66729675
trans-(1R,2R)-1-N,2-N-bis(diethoxyphosphinothioyl)cyclohexane-1,2-diamine
CID 15517377
[ethoxy(2,2,2-trifluoroethyl)phosphoryl]cyclohexane
CID 66796520
[(2S)-butan-2-yl]-(dichloromethyl)-ethoxy-sulfanylidene-λ5-phosphane
CID 11860123
chloro-diethoxy-sulfanylidene-λ5-phosphane
CID 160646785
ruthenium(2+);tricyclohexyl(ethoxymethylidene)-λ5-phosphane;dichloride
CID 173138141
3-[cyclopentyl(ethoxy)phosphoryl]propan-1-ol
CID 122209368
(1-chloro-2-methylbutyl)cycloheptane
CID 130480756
N-diethoxyphosphorylcyclopentanamine
CID 14195307
ethoxymethylcyclooctane
CID 70370569
N-[cyclohexyl(methoxy)phosphinothioyl]-N-methylmethanamine
CID 12584056

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(dichloromethyl)-ethoxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of cyclohexyl-(dichloromethyl)-ethoxy-sulfanylidene-lambda5-phosphane (CID 11864446) is cyclohexyl-(dichloromethyl)-ethoxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for cyclohexyl-(dichloromethyl)-ethoxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for cyclohexyl-(dichloromethyl)-ethoxy-sulfanylidene-lambda5-phosphane is CCO[P@@](=S)(C(Cl)Cl)C1CCCCC1.
What is the InChIKey of cyclohexyl-(dichloromethyl)-ethoxy-sulfanylidene-lambda5-phosphane?
The InChIKey is LSVGLFYOINQYJF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C9H17Cl2OPS/c1-2-12-13(14,9(10)11)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3/t13-/m0/s1.
What are the key properties of cyclohexyl-(dichloromethyl)-ethoxy-sulfanylidene-lambda5-phosphane?
cyclohexyl-(dichloromethyl)-ethoxy-sulfanylidene-lambda5-phosphane has a molecular weight of 275.18 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(dichloromethyl)-ethoxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 11864446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).