nonanoic acid;2H-pyran

C14H24O3 — CID 175179867

IUPACnonanoic acid;2H-pyran
SMILESC1=CCOC=C1.CCCCCCCCC(=O)O
InChIInChI=1S/C9H18O2.C5H6O/c1-2-3-4-5-6-7-8-9(10)11;1-2-4-6-5-3-1/h2-8H2,1H3,(H,10,11);1-4H,5H2
InChIKeyKBKFBMHZOXWBSW-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.91
Rot. Bonds7

About nonanoic acid;2H-pyran

nonanoic acid;2H-pyran (PubChem CID 175179867) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is nonanoic acid;2H-pyran.

Molecular Properties

Compound Namenonanoic acid;2H-pyran
PubChem CID175179867
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Namenonanoic acid;2H-pyran
SMILESC1=CCOC=C1.CCCCCCCCC(=O)O
InChIInChI=1S/C9H18O2.C5H6O/c1-2-3-4-5-6-7-8-9(10)11;1-2-4-6-5-3-1/h2-8H2,1H3,(H,10,11);1-4H,5H2
InChIKeyKBKFBMHZOXWBSW-UHFFFAOYSA-N
XLogP3.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze nonanoic acid;2H-pyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene;hexadecanoic acid
CID 162199490
benzene;decanoic acid
CID 159351150
diazanium;octadecanoic acid;hydroxide
CID 22561396
decanedioic acid;dodecane
CID 159822517
dodecanoic acid
CID 158803546
decanoic acid;pentadecanoic acid
CID 157343657
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096

Frequently Asked Questions

What is the IUPAC name of nonanoic acid;2H-pyran?
The IUPAC name of nonanoic acid;2H-pyran (CID 175179867) is nonanoic acid;2H-pyran.
What is the SMILES notation for nonanoic acid;2H-pyran?
The canonical SMILES for nonanoic acid;2H-pyran is C1=CCOC=C1.CCCCCCCCC(=O)O.
What is the InChIKey of nonanoic acid;2H-pyran?
The InChIKey is KBKFBMHZOXWBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2.C5H6O/c1-2-3-4-5-6-7-8-9(10)11;1-2-4-6-5-3-1/h2-8H2,1H3,(H,10,11);1-4H,5H2.
What are the key properties of nonanoic acid;2H-pyran?
nonanoic acid;2H-pyran has a molecular weight of 240.34 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonanoic acid;2H-pyran is sourced from PubChem (CID 175179867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).