methyl (1R)-2-ethenylcyclononane-1-carboxylate

C13H22O2 — CID 134859104

IUPACmethyl (1R)-2-ethenylcyclononane-1-carboxylate
SMILESC=CC1CCCCCCC[C@H]1C(=O)OC
InChIInChI=1S/C13H22O2/c1-3-11-9-7-5-4-6-8-10-12(11)13(14)15-2/h3,11-12H,1,4-10H2,2H3/t11?,12-/m1/s1
InChIKeyFRKAWSHPAHRLGN-PIJUOVFKSA-N
MW210.32 g/mol
LogP3.32
Rot. Bonds2

About methyl (1R)-2-ethenylcyclononane-1-carboxylate

methyl (1R)-2-ethenylcyclononane-1-carboxylate (PubChem CID 134859104) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is methyl (1R)-2-ethenylcyclononane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R)-2-ethenylcyclononane-1-carboxylate
PubChem CID134859104
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Namemethyl (1R)-2-ethenylcyclononane-1-carboxylate
SMILESC=CC1CCCCCCC[C@H]1C(=O)OC
InChIInChI=1S/C13H22O2/c1-3-11-9-7-5-4-6-8-10-12(11)13(14)15-2/h3,11-12H,1,4-10H2,2H3/t11?,12-/m1/s1
InChIKeyFRKAWSHPAHRLGN-PIJUOVFKSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (1R)-2-ethenylcyclononane-1-carboxylate?
The IUPAC name of methyl (1R)-2-ethenylcyclononane-1-carboxylate (CID 134859104) is methyl (1R)-2-ethenylcyclononane-1-carboxylate.
What is the SMILES notation for methyl (1R)-2-ethenylcyclononane-1-carboxylate?
The canonical SMILES for methyl (1R)-2-ethenylcyclononane-1-carboxylate is C=CC1CCCCCCC[C@H]1C(=O)OC.
What is the InChIKey of methyl (1R)-2-ethenylcyclononane-1-carboxylate?
The InChIKey is FRKAWSHPAHRLGN-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-11-9-7-5-4-6-8-10-12(11)13(14)15-2/h3,11-12H,1,4-10H2,2H3/t11?,12-/m1/s1.
What are the key properties of methyl (1R)-2-ethenylcyclononane-1-carboxylate?
methyl (1R)-2-ethenylcyclononane-1-carboxylate has a molecular weight of 210.32 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R)-2-ethenylcyclononane-1-carboxylate is sourced from PubChem (CID 134859104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).