cyclononane;hydrate

C9H20O — CID 159639171

IUPACcyclononane;hydrate
SMILESC1CCCCCCCC1.O
InChIInChI=1S/C9H18.H2O/c1-2-4-6-8-9-7-5-3-1;/h1-9H2;1H2
InChIKeyWXYNWLHWEQFOPJ-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.69
Rot. Bonds

About cyclononane;hydrate

cyclononane;hydrate (PubChem CID 159639171) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is cyclononane;hydrate.

Molecular Properties

Compound Namecyclononane;hydrate
PubChem CID159639171
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Namecyclononane;hydrate
SMILESC1CCCCCCCC1.O
InChIInChI=1S/C9H18.H2O/c1-2-4-6-8-9-7-5-3-1;/h1-9H2;1H2
InChIKeyWXYNWLHWEQFOPJ-UHFFFAOYSA-N
XLogP2.69
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclononane;hydrate?
The IUPAC name of cyclononane;hydrate (CID 159639171) is cyclononane;hydrate.
What is the SMILES notation for cyclononane;hydrate?
The canonical SMILES for cyclononane;hydrate is C1CCCCCCCC1.O.
What is the InChIKey of cyclononane;hydrate?
The InChIKey is WXYNWLHWEQFOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.H2O/c1-2-4-6-8-9-7-5-3-1;/h1-9H2;1H2.
What are the key properties of cyclononane;hydrate?
cyclononane;hydrate has a molecular weight of 144.26 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclononane;hydrate is sourced from PubChem (CID 159639171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).