2-octyl-1,3-dihydroindene-2-carboxylic acid

C18H26O2 — CID 65406419

IUPAC2-octyl-1,3-dihydroindene-2-carboxylic acid
SMILESCCCCCCCCC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C18H26O2/c1-2-3-4-5-6-9-12-18(17(19)20)13-15-10-7-8-11-16(15)14-18/h7-8,10-11H,2-6,9,12-14H2,1H3,(H,19,20)
InChIKeyWYEUWZCWJBJMCA-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.61
Rot. Bonds8

About 2-octyl-1,3-dihydroindene-2-carboxylic acid

2-octyl-1,3-dihydroindene-2-carboxylic acid (PubChem CID 65406419) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-octyl-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-octyl-1,3-dihydroindene-2-carboxylic acid
PubChem CID65406419
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name2-octyl-1,3-dihydroindene-2-carboxylic acid
SMILESCCCCCCCCC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C18H26O2/c1-2-3-4-5-6-9-12-18(17(19)20)13-15-10-7-8-11-16(15)14-18/h7-8,10-11H,2-6,9,12-14H2,1H3,(H,19,20)
InChIKeyWYEUWZCWJBJMCA-UHFFFAOYSA-N
XLogP4.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.61
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

3-octyl-2,4-dihydrochromene-3-carboxylic acid
CID 65406790
1-nonylcyclopropane-1-carboxylic acid
CID 54124337
2-(4-methoxybutyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 104650574
1-heptyl-2,3-dihydroindene-1-carboxylic acid
CID 65406431
4,4,6,6-tetramethyl-2-pentyl-3,5-dihydro-1H-pentalene-2-carboxylic acid
CID 22610211
2-(2-propan-2-yloxyethyl)-1,3-dihydroindene-2-carboxylic acid
CID 65409494
1-nonyl-2-octylcyclohexa-3,5-diene-1,2-dicarboxylic acid
CID 174885576
2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 65408549
2-heptyl-3,4-dihydro-1H-naphthalen-2-ol
CID 65147056
2-(2-tert-butylsulfonylethyl)-1,3-dihydroindene-2-carboxylic acid
CID 106734117
1-octylcyclononane-1-carboxylic acid
CID 71245674
1-nonylcyclooctane-1-carboxylic acid
CID 80609308

Frequently Asked Questions

What is the IUPAC name of 2-octyl-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-octyl-1,3-dihydroindene-2-carboxylic acid (CID 65406419) is 2-octyl-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-octyl-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-octyl-1,3-dihydroindene-2-carboxylic acid is CCCCCCCCC1(C(=O)O)Cc2ccccc2C1.
What is the InChIKey of 2-octyl-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is WYEUWZCWJBJMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-2-3-4-5-6-9-12-18(17(19)20)13-15-10-7-8-11-16(15)14-18/h7-8,10-11H,2-6,9,12-14H2,1H3,(H,19,20).
What are the key properties of 2-octyl-1,3-dihydroindene-2-carboxylic acid?
2-octyl-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 274.40 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octyl-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 65406419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).