cyclododecane;phosphenous acid

C12H25O2P — CID 70587206

IUPACcyclododecane;phosphenous acid
SMILESC1CCCCCCCCCCC1.O=PO
InChIInChI=1S/C12H24.HO2P/c1-2-4-6-8-10-12-11-9-7-5-3-1;1-3-2/h1-12H2;(H,1,2)
InChIKeyOMLPAGVLJNXHSB-UHFFFAOYSA-N
MW232.30 g/mol
LogP4.87
Rot. Bonds

About cyclododecane;phosphenous acid

cyclododecane;phosphenous acid (PubChem CID 70587206) has the molecular formula C12H25O2P and a molecular weight of 232.30 g/mol. Its IUPAC name is cyclododecane;phosphenous acid.

Molecular Properties

Compound Namecyclododecane;phosphenous acid
PubChem CID70587206
Molecular FormulaC12H25O2P
Molecular Weight232.30 g/mol
Exact Mass232.16
IUPAC Namecyclododecane;phosphenous acid
SMILESC1CCCCCCCCCCC1.O=PO
InChIInChI=1S/C12H24.HO2P/c1-2-4-6-8-10-12-11-9-7-5-3-1;1-3-2/h1-12H2;(H,1,2)
InChIKeyOMLPAGVLJNXHSB-UHFFFAOYSA-N
XLogP4.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclododecane;phosphenous acid?
The IUPAC name of cyclododecane;phosphenous acid (CID 70587206) is cyclododecane;phosphenous acid.
What is the SMILES notation for cyclododecane;phosphenous acid?
The canonical SMILES for cyclododecane;phosphenous acid is C1CCCCCCCCCCC1.O=PO.
What is the InChIKey of cyclododecane;phosphenous acid?
The InChIKey is OMLPAGVLJNXHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24.HO2P/c1-2-4-6-8-10-12-11-9-7-5-3-1;1-3-2/h1-12H2;(H,1,2).
What are the key properties of cyclododecane;phosphenous acid?
cyclododecane;phosphenous acid has a molecular weight of 232.30 g/mol, XLogP of 4.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecane;phosphenous acid is sourced from PubChem (CID 70587206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).