non-7-ynoic acid

C9H14O2 — CID 549239

IUPACnon-7-ynoic acid
SMILESCC#CCCCCCC(=O)O
InChIInChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h4-8H2,1H3,(H,10,11)
InChIKeyXHWZIVIBBICWQB-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.04
Rot. Bonds5

About non-7-ynoic acid

non-7-ynoic acid (PubChem CID 549239) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is non-7-ynoic acid.

Molecular Properties

Compound Namenon-7-ynoic acid
PubChem CID549239
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Namenon-7-ynoic acid
SMILESCC#CCCCCCC(=O)O
InChIInChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h4-8H2,1H3,(H,10,11)
InChIKeyXHWZIVIBBICWQB-UHFFFAOYSA-N
XLogP2.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

octadeca-4,16-diynoic acid
CID 169448081
tetracos-12-ynedioic acid
CID 14631215
tricosa-10,12-diynedioic acid
CID 3516470
docosa-7,15-diynoic acid
CID 87546312
dotriacont-13-ynoic acid
CID 16654690
tridec-9-ynoic acid
CID 5312723
pentacos-6-ynoic acid
CID 71542375
14-oxopentadec-10-ynoic acid
CID 21432369
icosa-4,16-diynedioic acid
CID 121000180
11-hydroxyundec-7-ynoic acid
CID 44576578
heptacosa-10,12,17-triynedioic acid
CID 4107670
dodec-6-ynoic acid
CID 5312609

Frequently Asked Questions

What is the IUPAC name of non-7-ynoic acid?
The IUPAC name of non-7-ynoic acid (CID 549239) is non-7-ynoic acid.
What is the SMILES notation for non-7-ynoic acid?
The canonical SMILES for non-7-ynoic acid is CC#CCCCCCC(=O)O.
What is the InChIKey of non-7-ynoic acid?
The InChIKey is XHWZIVIBBICWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h4-8H2,1H3,(H,10,11).
What are the key properties of non-7-ynoic acid?
non-7-ynoic acid has a molecular weight of 154.21 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for non-7-ynoic acid is sourced from PubChem (CID 549239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).