methyl 9-(oxan-2-yloxy)nonanoate

C15H28O4 — CID 14077879

IUPACmethyl 9-(oxan-2-yloxy)nonanoate
SMILESCOC(=O)CCCCCCCCOC1CCCCO1
InChIInChI=1S/C15H28O4/c1-17-14(16)10-6-4-2-3-5-8-12-18-15-11-7-9-13-19-15/h15H,2-13H2,1H3
InChIKeyBPUHMQKORWSKJU-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.43
Rot. Bonds10

About methyl 9-(oxan-2-yloxy)nonanoate

methyl 9-(oxan-2-yloxy)nonanoate (PubChem CID 14077879) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is methyl 9-(oxan-2-yloxy)nonanoate.

Molecular Properties

Compound Namemethyl 9-(oxan-2-yloxy)nonanoate
PubChem CID14077879
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Namemethyl 9-(oxan-2-yloxy)nonanoate
SMILESCOC(=O)CCCCCCCCOC1CCCCO1
InChIInChI=1S/C15H28O4/c1-17-14(16)10-6-4-2-3-5-8-12-18-15-11-7-9-13-19-15/h15H,2-13H2,1H3
InChIKeyBPUHMQKORWSKJU-UHFFFAOYSA-N
XLogP3.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 9-(oxan-2-yloxy)nonanoate?
The IUPAC name of methyl 9-(oxan-2-yloxy)nonanoate (CID 14077879) is methyl 9-(oxan-2-yloxy)nonanoate.
What is the SMILES notation for methyl 9-(oxan-2-yloxy)nonanoate?
The canonical SMILES for methyl 9-(oxan-2-yloxy)nonanoate is COC(=O)CCCCCCCCOC1CCCCO1.
What is the InChIKey of methyl 9-(oxan-2-yloxy)nonanoate?
The InChIKey is BPUHMQKORWSKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-17-14(16)10-6-4-2-3-5-8-12-18-15-11-7-9-13-19-15/h15H,2-13H2,1H3.
What are the key properties of methyl 9-(oxan-2-yloxy)nonanoate?
methyl 9-(oxan-2-yloxy)nonanoate has a molecular weight of 272.38 g/mol, XLogP of 3.43, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-(oxan-2-yloxy)nonanoate is sourced from PubChem (CID 14077879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).