(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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Related Compounds

bis(1,2-diethylcyclohexyl) hydrogen phosphate
CID 67296328
[2-(1,2-dimethylcyclohexyl)-1-ethylcyclohexyl] dihydrogen phosphate
CID 67295920
(1,2-diethylcyclooctyl) 2-methylprop-2-enoate
CID 175495311
4-(1,2-diethylcyclohexyl)oxy-4-oxobutanoic acid
CID 174843506
trans-(1R,2S)-1,2-diethylcyclohexan-1-ol
CID 86308413
(1,2-diethylcyclopentanecarbonyl)phosphonic acid
CID 57348632
sodium 4-(1,2-diethylcyclohexyl)oxy-4-oxo-3-sulfobutanoate
CID 134586980
2-(1,2-diethylcyclohexyl)propanedioic acid
CID 69475153
3-[1-(aminomethyl)-2-ethylcyclohexyl]oxybutan-2-ol
CID 103377191
2-ethyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-ol
CID 65149543
alumane;1,2-diethylcyclopentan-1-ol
CID 174746701
2-ethyl-1-sulfanylcyclohexan-1-ol
CID 20564659

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).