9-(oxiren-2-yl)nonanoic acid

C11H18O3 — CID 141359702

IUPAC9-(oxiren-2-yl)nonanoic acid
SMILESO=C(O)CCCCCCCCC1=CO1
InChIInChI=1S/C11H18O3/c12-11(13)8-6-4-2-1-3-5-7-10-9-14-10/h9H,1-8H2,(H,12,13)
InChIKeyNOPBMMKYOOZERD-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.06
Rot. Bonds9

About 9-(oxiren-2-yl)nonanoic acid

9-(oxiren-2-yl)nonanoic acid (PubChem CID 141359702) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 9-(oxiren-2-yl)nonanoic acid.

Molecular Properties

Compound Name9-(oxiren-2-yl)nonanoic acid
PubChem CID141359702
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name9-(oxiren-2-yl)nonanoic acid
SMILESO=C(O)CCCCCCCCC1=CO1
InChIInChI=1S/C11H18O3/c12-11(13)8-6-4-2-1-3-5-7-10-9-14-10/h9H,1-8H2,(H,12,13)
InChIKeyNOPBMMKYOOZERD-UHFFFAOYSA-N
XLogP3.06
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-[5-(4-carboxybutyl)thiophen-2-yl]octanoic acid
CID 4270643
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
tridecanedioic acid;undecanedioic acid
CID 158333715
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
15-phenylpentadecanoic acid
CID 2737151
11-(3-oxocyclopropen-1-yl)undecanoic acid
CID 10243288

Frequently Asked Questions

What is the IUPAC name of 9-(oxiren-2-yl)nonanoic acid?
The IUPAC name of 9-(oxiren-2-yl)nonanoic acid (CID 141359702) is 9-(oxiren-2-yl)nonanoic acid.
What is the SMILES notation for 9-(oxiren-2-yl)nonanoic acid?
The canonical SMILES for 9-(oxiren-2-yl)nonanoic acid is O=C(O)CCCCCCCCC1=CO1.
What is the InChIKey of 9-(oxiren-2-yl)nonanoic acid?
The InChIKey is NOPBMMKYOOZERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c12-11(13)8-6-4-2-1-3-5-7-10-9-14-10/h9H,1-8H2,(H,12,13).
What are the key properties of 9-(oxiren-2-yl)nonanoic acid?
9-(oxiren-2-yl)nonanoic acid has a molecular weight of 198.26 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(oxiren-2-yl)nonanoic acid is sourced from PubChem (CID 141359702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).