5-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanoic acid

C15H20O2 — CID 12646162

IUPAC5-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanoic acid
SMILESO=C(O)CCCCc1cccc2c1CCCC2
InChIInChI=1S/C15H20O2/c16-15(17)11-4-2-7-13-9-5-8-12-6-1-3-10-14(12)13/h5,8-9H,1-4,6-7,10-11H2,(H,16,17)
InChIKeyDJIRAXSHRCEGBE-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.36
Rot. Bonds5

About 5-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanoic acid

5-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanoic acid (PubChem CID 12646162) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 5-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanoic acid
PubChem CID12646162
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name5-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanoic acid
SMILESO=C(O)CCCCc1cccc2c1CCCC2
InChIInChI=1S/C15H20O2/c16-15(17)11-4-2-7-13-9-5-8-12-6-1-3-10-14(12)13/h5,8-9H,1-4,6-7,10-11H2,(H,16,17)
InChIKeyDJIRAXSHRCEGBE-UHFFFAOYSA-N
XLogP3.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.36
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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Frequently Asked Questions

What is the IUPAC name of 5-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanoic acid?
The IUPAC name of 5-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanoic acid (CID 12646162) is 5-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanoic acid.
What is the SMILES notation for 5-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanoic acid?
The canonical SMILES for 5-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanoic acid is O=C(O)CCCCc1cccc2c1CCCC2.
What is the InChIKey of 5-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanoic acid?
The InChIKey is DJIRAXSHRCEGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c16-15(17)11-4-2-7-13-9-5-8-12-6-1-3-10-14(12)13/h5,8-9H,1-4,6-7,10-11H2,(H,16,17).
What are the key properties of 5-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanoic acid?
5-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanoic acid has a molecular weight of 232.32 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6,7,8-tetrahydronaphthalen-1-yl)pentanoic acid is sourced from PubChem (CID 12646162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).