5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid

C15H20O2 — CID 71387603

IUPAC5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid
SMILESO=C(O)CCCCC1CCCc2ccccc21
InChIInChI=1S/C15H20O2/c16-15(17)11-4-2-7-13-9-5-8-12-6-1-3-10-14(12)13/h1,3,6,10,13H,2,4-5,7-9,11H2,(H,16,17)
InChIKeyXCHKGDUKWSDAAE-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.75
Rot. Bonds5

About 5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid

5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid (PubChem CID 71387603) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid
PubChem CID71387603
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid
SMILESO=C(O)CCCCC1CCCc2ccccc21
InChIInChI=1S/C15H20O2/c16-15(17)11-4-2-7-13-9-5-8-12-6-1-3-10-14(12)13/h1,3,6,10,13H,2,4-5,7-9,11H2,(H,16,17)
InChIKeyXCHKGDUKWSDAAE-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
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

7-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanoic acid
CID 70165962
8-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one
CID 141082859
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
4-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]butanoic acid
CID 119170863
4-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-1-sulfonic acid
CID 142978184
(1R)-1-(5-chloropentyl)-1,2,3,4-tetrahydronaphthalene
CID 129384630
1-(5-chloropentyl)-1,2,3,4-tetrahydronaphthalene
CID 10561836
3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)propanoic acid
CID 63771127
5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 58420594
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanoic acid
CID 83985074
6-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)hexanoic acid
CID 18623264
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)cyclohexane-1-carboxylic acid
CID 114450996

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid?
The IUPAC name of 5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid (CID 71387603) is 5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid.
What is the SMILES notation for 5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid?
The canonical SMILES for 5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid is O=C(O)CCCCC1CCCc2ccccc21.
What is the InChIKey of 5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid?
The InChIKey is XCHKGDUKWSDAAE-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/h1,3,6,10,13H,2,4-5,7-9,11H2,(H,16,17).
What are the key properties of 5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid?
5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid has a molecular weight of 232.32 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid is sourced from PubChem (CID 71387603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).