7-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanoic acid

C17H24O2 — CID 70165962

IUPAC7-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanoic acid
SMILESO=C(O)CCCCCCC1CCCc2ccccc21
InChIInChI=1S/C17H24O2/c18-17(19)13-4-2-1-3-8-14-10-7-11-15-9-5-6-12-16(14)15/h5-6,9,12,14H,1-4,7-8,10-11,13H2,(H,18,19)
InChIKeyUEAGTKPJYJQVOV-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.53
Rot. Bonds7

About 7-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanoic acid

7-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanoic acid (PubChem CID 70165962) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 7-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanoic acid.

Molecular Properties

Compound Name7-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanoic acid
PubChem CID70165962
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name7-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanoic acid
SMILESO=C(O)CCCCCCC1CCCc2ccccc21
InChIInChI=1S/C17H24O2/c18-17(19)13-4-2-1-3-8-14-10-7-11-15-9-5-6-12-16(14)15/h5-6,9,12,14H,1-4,7-8,10-11,13H2,(H,18,19)
InChIKeyUEAGTKPJYJQVOV-UHFFFAOYSA-N
XLogP4.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.53
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

5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid
CID 71387603
8-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one
CID 141082859
1-(5-chloropentyl)-1,2,3,4-tetrahydronaphthalene
CID 10561836
(1R)-1-(5-chloropentyl)-1,2,3,4-tetrahydronaphthalene
CID 129384630
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
3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfinyl)propanoic acid
CID 63771127
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
5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 58420594
(1R)-1-hexadecyl-2,3-dihydro-1H-indene
CID 98094176

Frequently Asked Questions

What is the IUPAC name of 7-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanoic acid?
The IUPAC name of 7-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanoic acid (CID 70165962) is 7-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanoic acid.
What is the SMILES notation for 7-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanoic acid?
The canonical SMILES for 7-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanoic acid is O=C(O)CCCCCCC1CCCc2ccccc21.
What is the InChIKey of 7-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanoic acid?
The InChIKey is UEAGTKPJYJQVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c18-17(19)13-4-2-1-3-8-14-10-7-11-15-9-5-6-12-16(14)15/h5-6,9,12,14H,1-4,7-8,10-11,13H2,(H,18,19).
What are the key properties of 7-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanoic acid?
7-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanoic acid has a molecular weight of 260.38 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanoic acid is sourced from PubChem (CID 70165962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).