1-nonylcyclooctane-1-carboxylic acid

C18H34O2 — CID 80609308

IUPAC1-nonylcyclooctane-1-carboxylic acid
SMILESCCCCCCCCCC1(C(=O)O)CCCCCCC1
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-8-11-14-18(17(19)20)15-12-9-7-10-13-16-18/h2-16H2,1H3,(H,19,20)
InChIKeyZTFBBLNQHZXZKH-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.94
Rot. Bonds9

About 1-nonylcyclooctane-1-carboxylic acid

1-nonylcyclooctane-1-carboxylic acid (PubChem CID 80609308) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-nonylcyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name1-nonylcyclooctane-1-carboxylic acid
PubChem CID80609308
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name1-nonylcyclooctane-1-carboxylic acid
SMILESCCCCCCCCCC1(C(=O)O)CCCCCCC1
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-8-11-14-18(17(19)20)15-12-9-7-10-13-16-18/h2-16H2,1H3,(H,19,20)
InChIKeyZTFBBLNQHZXZKH-UHFFFAOYSA-N
XLogP5.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.94
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

1-octylcyclononane-1-carboxylic acid
CID 71245674
1-nonylcyclopropane-1-carboxylic acid
CID 54124337
1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
CID 19090977
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
CID 54469920
1-propylcyclooctane-1-carboxylic acid
CID 80611944
1-(9-carboxynonyl)cycloundecane-1-carboxylic acid
CID 66641441
1-pentylcyclohexane-1-carboxylate
CID 22407698
3-hexylpyrrolidine-3-carboxylic acid
CID 63140617
4-butyl-1-octylcyclohexane-1-carboxylic acid
CID 63403164
heptyl 1-heptylcyclohexane-1-carboxylate
CID 118023619
1-heptyl-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 65423946
1-decylcyclobutane-1-carboxamide
CID 10037267

Frequently Asked Questions

What is the IUPAC name of 1-nonylcyclooctane-1-carboxylic acid?
The IUPAC name of 1-nonylcyclooctane-1-carboxylic acid (CID 80609308) is 1-nonylcyclooctane-1-carboxylic acid.
What is the SMILES notation for 1-nonylcyclooctane-1-carboxylic acid?
The canonical SMILES for 1-nonylcyclooctane-1-carboxylic acid is CCCCCCCCCC1(C(=O)O)CCCCCCC1.
What is the InChIKey of 1-nonylcyclooctane-1-carboxylic acid?
The InChIKey is ZTFBBLNQHZXZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-2-3-4-5-6-8-11-14-18(17(19)20)15-12-9-7-10-13-16-18/h2-16H2,1H3,(H,19,20).
What are the key properties of 1-nonylcyclooctane-1-carboxylic acid?
1-nonylcyclooctane-1-carboxylic acid has a molecular weight of 282.47 g/mol, XLogP of 5.94, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonylcyclooctane-1-carboxylic acid is sourced from PubChem (CID 80609308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).