cyclohexyl(trimethyl)phosphanium;dimethyl phosphate

C11H26O4P2 — CID 87177109

IUPACcyclohexyl(trimethyl)phosphanium;dimethyl phosphate
SMILESCOP(=O)([O-])OC.C[P+](C)(C)C1CCCCC1
InChIInChI=1S/C9H20P.C2H7O4P/c1-10(2,3)9-7-5-4-6-8-9;1-5-7(3,4)6-2/h9H,4-8H2,1-3H3;1-2H3,(H,3,4)/q+1;/p-1
InChIKeyHFQFBVMMDKNQNV-UHFFFAOYSA-M
MW284.27 g/mol
LogP2.97
Rot. Bonds3

About cyclohexyl(trimethyl)phosphanium;dimethyl phosphate

cyclohexyl(trimethyl)phosphanium;dimethyl phosphate (PubChem CID 87177109) has the molecular formula C11H26O4P2 and a molecular weight of 284.27 g/mol. Its IUPAC name is cyclohexyl(trimethyl)phosphanium;dimethyl phosphate.

Molecular Properties

Compound Namecyclohexyl(trimethyl)phosphanium;dimethyl phosphate
PubChem CID87177109
Molecular FormulaC11H26O4P2
Molecular Weight284.27 g/mol
Exact Mass284.13
IUPAC Namecyclohexyl(trimethyl)phosphanium;dimethyl phosphate
SMILESCOP(=O)([O-])OC.C[P+](C)(C)C1CCCCC1
InChIInChI=1S/C9H20P.C2H7O4P/c1-10(2,3)9-7-5-4-6-8-9;1-5-7(3,4)6-2/h9H,4-8H2,1-3H3;1-2H3,(H,3,4)/q+1;/p-1
InChIKeyHFQFBVMMDKNQNV-UHFFFAOYSA-M
XLogP2.97
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl(trimethyl)phosphanium;dimethyl phosphate?
The IUPAC name of cyclohexyl(trimethyl)phosphanium;dimethyl phosphate (CID 87177109) is cyclohexyl(trimethyl)phosphanium;dimethyl phosphate.
What is the SMILES notation for cyclohexyl(trimethyl)phosphanium;dimethyl phosphate?
The canonical SMILES for cyclohexyl(trimethyl)phosphanium;dimethyl phosphate is COP(=O)([O-])OC.C[P+](C)(C)C1CCCCC1.
What is the InChIKey of cyclohexyl(trimethyl)phosphanium;dimethyl phosphate?
The InChIKey is HFQFBVMMDKNQNV-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20P.C2H7O4P/c1-10(2,3)9-7-5-4-6-8-9;1-5-7(3,4)6-2/h9H,4-8H2,1-3H3;1-2H3,(H,3,4)/q+1;/p-1.
What are the key properties of cyclohexyl(trimethyl)phosphanium;dimethyl phosphate?
cyclohexyl(trimethyl)phosphanium;dimethyl phosphate has a molecular weight of 284.27 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(trimethyl)phosphanium;dimethyl phosphate is sourced from PubChem (CID 87177109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).