(1,2-diethylcyclohexyl) dihydrogen phosphate

C10H21O4P — CID 67296189

IUPAC(1,2-diethylcyclohexyl) dihydrogen phosphate
SMILESCCC1CCCCC1(CC)OP(=O)(O)O
InChIInChI=1S/C10H21O4P/c1-3-9-7-5-6-8-10(9,4-2)14-15(11,12)13/h9H,3-8H2,1-2H3,(H2,11,12,13)
InChIKeyHLGCFGGWWKFFPC-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.84
Rot. Bonds4

About (1,2-diethylcyclohexyl) dihydrogen phosphate

(1,2-diethylcyclohexyl) dihydrogen phosphate (PubChem CID 67296189) has the molecular formula C10H21O4P and a molecular weight of 236.25 g/mol. Its IUPAC name is (1,2-diethylcyclohexyl) dihydrogen phosphate.

Molecular Properties

Compound Name(1,2-diethylcyclohexyl) dihydrogen phosphate
PubChem CID67296189
Molecular FormulaC10H21O4P
Molecular Weight236.25 g/mol
Exact Mass236.12
IUPAC Name(1,2-diethylcyclohexyl) dihydrogen phosphate
SMILESCCC1CCCCC1(CC)OP(=O)(O)O
InChIInChI=1S/C10H21O4P/c1-3-9-7-5-6-8-10(9,4-2)14-15(11,12)13/h9H,3-8H2,1-2H3,(H2,11,12,13)
InChIKeyHLGCFGGWWKFFPC-UHFFFAOYSA-N
XLogP2.84
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,2-diethylcyclohexyl) dihydrogen phosphate?
The IUPAC name of (1,2-diethylcyclohexyl) dihydrogen phosphate (CID 67296189) is (1,2-diethylcyclohexyl) dihydrogen phosphate.
What is the SMILES notation for (1,2-diethylcyclohexyl) dihydrogen phosphate?
The canonical SMILES for (1,2-diethylcyclohexyl) dihydrogen phosphate is CCC1CCCCC1(CC)OP(=O)(O)O.
What is the InChIKey of (1,2-diethylcyclohexyl) dihydrogen phosphate?
The InChIKey is HLGCFGGWWKFFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O4P/c1-3-9-7-5-6-8-10(9,4-2)14-15(11,12)13/h9H,3-8H2,1-2H3,(H2,11,12,13).
What are the key properties of (1,2-diethylcyclohexyl) dihydrogen phosphate?
(1,2-diethylcyclohexyl) dihydrogen phosphate has a molecular weight of 236.25 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-diethylcyclohexyl) dihydrogen phosphate is sourced from PubChem (CID 67296189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).