8-cyclooctyloctanoic acid

C16H30O2 — CID 142719661

IUPAC8-cyclooctyloctanoic acid
SMILESO=C(O)CCCCCCCC1CCCCCCC1
InChIInChI=1S/C16H30O2/c17-16(18)14-10-6-2-5-9-13-15-11-7-3-1-4-8-12-15/h15H,1-14H2,(H,17,18)
InChIKeyQYOLBFSYJHKPEK-UHFFFAOYSA-N
MW254.41 g/mol
LogP5.16
Rot. Bonds8

About 8-cyclooctyloctanoic acid

8-cyclooctyloctanoic acid (PubChem CID 142719661) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 8-cyclooctyloctanoic acid.

Molecular Properties

Compound Name8-cyclooctyloctanoic acid
PubChem CID142719661
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name8-cyclooctyloctanoic acid
SMILESO=C(O)CCCCCCCC1CCCCCCC1
InChIInChI=1S/C16H30O2/c17-16(18)14-10-6-2-5-9-13-15-11-7-3-1-4-8-12-15/h15H,1-14H2,(H,17,18)
InChIKeyQYOLBFSYJHKPEK-UHFFFAOYSA-N
XLogP5.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.41
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 71560336
19-cyclohexylnonadecanoic acid
CID 71352938
7-cycloheptylheptanoic acid
CID 135077063
8-cyclobutyloctanoic acid
CID 72551210
12-[(8E)-cyclohexadec-8-en-1-yl]dodecanoic acid
CID 67740189
11-(3-deuteriocycloheptyl)(1113C)undecanoic acid
CID 10565022
(Z)-18-cyclohexyloctadec-9-enoic acid
CID 70304704
11-(3-deuteriocycloheptyl)undecanoic acid
CID 10731719
4-cyclohexylbutanoic acid;λ2-plumbane
CID 173062750
CID 131865884
CID 131865884
18-cyclohexyloctadecanamide
CID 70490920
5-(3-cyclopentylpropylamino)pentanoic acid
CID 106004168

Frequently Asked Questions

What is the IUPAC name of 8-cyclooctyloctanoic acid?
The IUPAC name of 8-cyclooctyloctanoic acid (CID 142719661) is 8-cyclooctyloctanoic acid.
What is the SMILES notation for 8-cyclooctyloctanoic acid?
The canonical SMILES for 8-cyclooctyloctanoic acid is O=C(O)CCCCCCCC1CCCCCCC1.
What is the InChIKey of 8-cyclooctyloctanoic acid?
The InChIKey is QYOLBFSYJHKPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c17-16(18)14-10-6-2-5-9-13-15-11-7-3-1-4-8-12-15/h15H,1-14H2,(H,17,18).
What are the key properties of 8-cyclooctyloctanoic acid?
8-cyclooctyloctanoic acid has a molecular weight of 254.41 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclooctyloctanoic acid is sourced from PubChem (CID 142719661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).