7-cyclopropyl-7-oxoheptanoic acid

C10H16O3 — CID 24726981

IUPAC7-cyclopropyl-7-oxoheptanoic acid
SMILESO=C(O)CCCCCC(=O)C1CC1
InChIInChI=1S/C10H16O3/c11-9(8-6-7-8)4-2-1-3-5-10(12)13/h8H,1-7H2,(H,12,13)
InChIKeyTXAAUKKBIMJGHY-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.00
Rot. Bonds7

About 7-cyclopropyl-7-oxoheptanoic acid

7-cyclopropyl-7-oxoheptanoic acid (PubChem CID 24726981) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 7-cyclopropyl-7-oxoheptanoic acid.

Molecular Properties

Compound Name7-cyclopropyl-7-oxoheptanoic acid
PubChem CID24726981
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name7-cyclopropyl-7-oxoheptanoic acid
SMILESO=C(O)CCCCCC(=O)C1CC1
InChIInChI=1S/C10H16O3/c11-9(8-6-7-8)4-2-1-3-5-10(12)13/h8H,1-7H2,(H,12,13)
InChIKeyTXAAUKKBIMJGHY-UHFFFAOYSA-N
XLogP2.00
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.00
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

1,8-di(cyclobutyl)octane-1,8-dione
CID 70972585
tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
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
1-cyclopropyl-4-fluorobutan-1-one
CID 80696866
4-cyclopentyl-4-oxobutanoic acid
CID 10630985

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-7-oxoheptanoic acid?
The IUPAC name of 7-cyclopropyl-7-oxoheptanoic acid (CID 24726981) is 7-cyclopropyl-7-oxoheptanoic acid.
What is the SMILES notation for 7-cyclopropyl-7-oxoheptanoic acid?
The canonical SMILES for 7-cyclopropyl-7-oxoheptanoic acid is O=C(O)CCCCCC(=O)C1CC1.
What is the InChIKey of 7-cyclopropyl-7-oxoheptanoic acid?
The InChIKey is TXAAUKKBIMJGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c11-9(8-6-7-8)4-2-1-3-5-10(12)13/h8H,1-7H2,(H,12,13).
What are the key properties of 7-cyclopropyl-7-oxoheptanoic acid?
7-cyclopropyl-7-oxoheptanoic acid has a molecular weight of 184.23 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-7-oxoheptanoic acid is sourced from PubChem (CID 24726981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).