cyclononyl formate

C10H18O2 — CID 87065625

IUPACcyclononyl formate
SMILESO=COC1CCCCCCCC1
InChIInChI=1S/C10H18O2/c11-9-12-10-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2
InChIKeyYXCPEUBGFDCJBJ-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.66
Rot. Bonds2

About cyclononyl formate

cyclononyl formate (PubChem CID 87065625) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is cyclononyl formate.

Molecular Properties

Compound Namecyclononyl formate
PubChem CID87065625
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Namecyclononyl formate
SMILESO=COC1CCCCCCCC1
InChIInChI=1S/C10H18O2/c11-9-12-10-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2
InChIKeyYXCPEUBGFDCJBJ-UHFFFAOYSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl formate;piperidine
CID 174620943
aniline;cyclohexyl formate
CID 160794609
(4-chlorocyclohexyl) formate
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CID 130142340
(4-ethylcyclohexyl) formate
CID 57083456
[(E)-prop-1-enoxy]cyclododecane
CID 5374044
N-cycloheptyloxyformamide
CID 149251676
dicyclohexyl sulfite
CID 557841
cyclopentyl formate;4-(2,2-dimethylpropoxy)butan-2-amine
CID 143664365
[(3S)-oxolan-3-yl] formate
CID 22868233
[(1R,2S)-2-methylcyclohexyl] formate
CID 18611348
[(1S,2S)-2-aminocyclohexyl] formate
CID 87077504

Frequently Asked Questions

What is the IUPAC name of cyclononyl formate?
The IUPAC name of cyclononyl formate (CID 87065625) is cyclononyl formate.
What is the SMILES notation for cyclononyl formate?
The canonical SMILES for cyclononyl formate is O=COC1CCCCCCCC1.
What is the InChIKey of cyclononyl formate?
The InChIKey is YXCPEUBGFDCJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c11-9-12-10-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2.
What are the key properties of cyclononyl formate?
cyclononyl formate has a molecular weight of 170.25 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclononyl formate is sourced from PubChem (CID 87065625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).