cyclohexane;phosphoric acid

C6H15O4P — CID 66712199

IUPACcyclohexane;phosphoric acid
SMILESC1CCCCC1.O=P(O)(O)O
InChIInChI=1S/C6H12.H3O4P/c1-2-4-6-5-3-1;1-5(2,3)4/h1-6H2;(H3,1,2,3,4)
InChIKeyGTDRNEOUOUYOJM-UHFFFAOYSA-N
MW182.16 g/mol
LogP1.41
Rot. Bonds

About cyclohexane;phosphoric acid

cyclohexane;phosphoric acid (PubChem CID 66712199) has the molecular formula C6H15O4P and a molecular weight of 182.16 g/mol. Its IUPAC name is cyclohexane;phosphoric acid.

Molecular Properties

Compound Namecyclohexane;phosphoric acid
PubChem CID66712199
Molecular FormulaC6H15O4P
Molecular Weight182.16 g/mol
Exact Mass182.07
IUPAC Namecyclohexane;phosphoric acid
SMILESC1CCCCC1.O=P(O)(O)O
InChIInChI=1S/C6H12.H3O4P/c1-2-4-6-5-3-1;1-5(2,3)4/h1-6H2;(H3,1,2,3,4)
InChIKeyGTDRNEOUOUYOJM-UHFFFAOYSA-N
XLogP1.41
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azane;cyclopropane;phosphoric acid
CID 67655484
azetidine;phosphoric acid
CID 172755037
phosphane;phosphoric acid
CID 172840180
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CID 22023151
methane;phosphoric acid
CID 18515646
CID 159816390
CID 159816390
hydrogen peroxide;phosphoric acid
CID 18509931
methane;phosphoric acid
CID 173400304
iron;phosphoric acid
CID 174838016
cerium;phosphoric acid
CID 90659592
CID 173050648
CID 173050648
phosphane;phosphoric acid
CID 173160232

Frequently Asked Questions

What is the IUPAC name of cyclohexane;phosphoric acid?
The IUPAC name of cyclohexane;phosphoric acid (CID 66712199) is cyclohexane;phosphoric acid.
What is the SMILES notation for cyclohexane;phosphoric acid?
The canonical SMILES for cyclohexane;phosphoric acid is C1CCCCC1.O=P(O)(O)O.
What is the InChIKey of cyclohexane;phosphoric acid?
The InChIKey is GTDRNEOUOUYOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.H3O4P/c1-2-4-6-5-3-1;1-5(2,3)4/h1-6H2;(H3,1,2,3,4).
What are the key properties of cyclohexane;phosphoric acid?
cyclohexane;phosphoric acid has a molecular weight of 182.16 g/mol, XLogP of 1.41, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;phosphoric acid is sourced from PubChem (CID 66712199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).