cyclononylcyclononane;phosphenous acid;hydrochloride

C18H36ClO2P — CID 175501980

IUPACcyclononylcyclononane;phosphenous acid;hydrochloride
SMILESC1CCCCC(C2CCCCCCCC2)CCC1.Cl.O=PO
InChIInChI=1S/C18H34.ClH.HO2P/c1-2-6-10-14-17(13-9-5-1)18-15-11-7-3-4-8-12-16-18;;1-3-2/h17-18H,1-16H2;1H;(H,1,2)
InChIKeyGMJMLZBUGYOQEO-UHFFFAOYSA-N
MW350.91 g/mol
LogP7.09
Rot. Bonds1

About cyclononylcyclononane;phosphenous acid;hydrochloride

cyclononylcyclononane;phosphenous acid;hydrochloride (PubChem CID 175501980) has the molecular formula C18H36ClO2P and a molecular weight of 350.91 g/mol. Its IUPAC name is cyclononylcyclononane;phosphenous acid;hydrochloride.

Molecular Properties

Compound Namecyclononylcyclononane;phosphenous acid;hydrochloride
PubChem CID175501980
Molecular FormulaC18H36ClO2P
Molecular Weight350.91 g/mol
Exact Mass350.21
IUPAC Namecyclononylcyclononane;phosphenous acid;hydrochloride
SMILESC1CCCCC(C2CCCCCCCC2)CCC1.Cl.O=PO
InChIInChI=1S/C18H34.ClH.HO2P/c1-2-6-10-14-17(13-9-5-1)18-15-11-7-3-4-8-12-16-18;;1-3-2/h17-18H,1-16H2;1H;(H,1,2)
InChIKeyGMJMLZBUGYOQEO-UHFFFAOYSA-N
XLogP7.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.91
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of cyclononylcyclononane;phosphenous acid;hydrochloride?
The IUPAC name of cyclononylcyclononane;phosphenous acid;hydrochloride (CID 175501980) is cyclononylcyclononane;phosphenous acid;hydrochloride.
What is the SMILES notation for cyclononylcyclononane;phosphenous acid;hydrochloride?
The canonical SMILES for cyclononylcyclononane;phosphenous acid;hydrochloride is C1CCCCC(C2CCCCCCCC2)CCC1.Cl.O=PO.
What is the InChIKey of cyclononylcyclononane;phosphenous acid;hydrochloride?
The InChIKey is GMJMLZBUGYOQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34.ClH.HO2P/c1-2-6-10-14-17(13-9-5-1)18-15-11-7-3-4-8-12-16-18;;1-3-2/h17-18H,1-16H2;1H;(H,1,2).
What are the key properties of cyclononylcyclononane;phosphenous acid;hydrochloride?
cyclononylcyclononane;phosphenous acid;hydrochloride has a molecular weight of 350.91 g/mol, XLogP of 7.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclononylcyclononane;phosphenous acid;hydrochloride is sourced from PubChem (CID 175501980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).