2-chloro-1-cyclohexyl-3,4-dimethylphospholane;gold

C12H22AuClP — CID 71340250

IUPAC2-chloro-1-cyclohexyl-3,4-dimethylphospholane;gold
SMILESCC1CP(C2CCCCC2)C(Cl)C1C.[Au]
InChIInChI=1S/C12H22ClP.Au/c1-9-8-14(12(13)10(9)2)11-6-4-3-5-7-11;/h9-12H,3-8H2,1-2H3;
InChIKeyIISSXOLGIIGGBS-UHFFFAOYSA-N
MW429.70 g/mol
LogP4.65
Rot. Bonds1

About 2-chloro-1-cyclohexyl-3,4-dimethylphospholane;gold

2-chloro-1-cyclohexyl-3,4-dimethylphospholane;gold (PubChem CID 71340250) has the molecular formula C12H22AuClP and a molecular weight of 429.70 g/mol. Its IUPAC name is 2-chloro-1-cyclohexyl-3,4-dimethylphospholane;gold.

Molecular Properties

Compound Name2-chloro-1-cyclohexyl-3,4-dimethylphospholane;gold
PubChem CID71340250
Molecular FormulaC12H22AuClP
Molecular Weight429.70 g/mol
Exact Mass429.08
IUPAC Name2-chloro-1-cyclohexyl-3,4-dimethylphospholane;gold
SMILESCC1CP(C2CCCCC2)C(Cl)C1C.[Au]
InChIInChI=1S/C12H22ClP.Au/c1-9-8-14(12(13)10(9)2)11-6-4-3-5-7-11;/h9-12H,3-8H2,1-2H3;
InChIKeyIISSXOLGIIGGBS-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.70
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 155884997
(1S,2S)-1-cyclohexyl-2-ethenylphosphirane
CID 23414253
1,2,3-trimethylcycloheptane
CID 54005509
(1R,8R)-9-methylbicyclo[6.1.0]nonane
CID 12870202
9-methyl-9-phosphabicyclo[3.3.1]nonane
CID 18343626
(1Z,3Z)-5,11-dimethylcyclododeca-1,3-diene
CID 144931103
(2S,4S)-1-cyclopentyl-2,4-dimethylphosphetane
CID 123179204
1,6-dimethylcycloundecane
CID 91298161
cyclohexane;methylcyclopentane
CID 20788572
1,2-dimethylcyclohexane;vanadium
CID 142004480

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-cyclohexyl-3,4-dimethylphospholane;gold?
The IUPAC name of 2-chloro-1-cyclohexyl-3,4-dimethylphospholane;gold (CID 71340250) is 2-chloro-1-cyclohexyl-3,4-dimethylphospholane;gold.
What is the SMILES notation for 2-chloro-1-cyclohexyl-3,4-dimethylphospholane;gold?
The canonical SMILES for 2-chloro-1-cyclohexyl-3,4-dimethylphospholane;gold is CC1CP(C2CCCCC2)C(Cl)C1C.[Au].
What is the InChIKey of 2-chloro-1-cyclohexyl-3,4-dimethylphospholane;gold?
The InChIKey is IISSXOLGIIGGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClP.Au/c1-9-8-14(12(13)10(9)2)11-6-4-3-5-7-11;/h9-12H,3-8H2,1-2H3;.
What are the key properties of 2-chloro-1-cyclohexyl-3,4-dimethylphospholane;gold?
2-chloro-1-cyclohexyl-3,4-dimethylphospholane;gold has a molecular weight of 429.70 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-cyclohexyl-3,4-dimethylphospholane;gold is sourced from PubChem (CID 71340250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).