2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]cyclopropane-1-carboxylic acid

C18H24O2 — CID 83931825

IUPAC2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]cyclopropane-1-carboxylic acid
SMILESCCC(CC1CC1C(=O)O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H24O2/c1-2-12(9-16-11-17(16)18(19)20)15-8-7-13-5-3-4-6-14(13)10-15/h7-8,10,12,16-17H,2-6,9,11H2,1H3,(H,19,20)
InChIKeyVZYJBRUPPZOXBJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.17
Rot. Bonds5

About 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]cyclopropane-1-carboxylic acid

2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]cyclopropane-1-carboxylic acid (PubChem CID 83931825) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]cyclopropane-1-carboxylic acid
PubChem CID83931825
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]cyclopropane-1-carboxylic acid
SMILESCCC(CC1CC1C(=O)O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H24O2/c1-2-12(9-16-11-17(16)18(19)20)15-8-7-13-5-3-4-6-14(13)10-15/h7-8,10,12,16-17H,2-6,9,11H2,1H3,(H,19,20)
InChIKeyVZYJBRUPPZOXBJ-UHFFFAOYSA-N
XLogP4.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]oxirane
CID 83931797
2-[2-(4-pentoxyphenyl)butyl]cyclopropane-1-carboxylic acid
CID 83932649
2-[2-(2,5-dimethylphenyl)butyl]cyclopropane-1-carboxylic acid
CID 83928197
6-[(Z)-hept-5-en-3-yl]-1,2,3,4-tetrahydronaphthalene
CID 83931784
2-[2-(4-hydroxy-2,6-dimethylphenyl)butyl]cyclopropane-1-carboxylic acid
CID 83923523
5-(5,6,7,8-tetrahydronaphthalen-2-yl)heptane-2,3-diol
CID 83931813
3-(2,3-dihydro-1H-inden-5-yl)hexanoic acid
CID 82045624
2-(2-pyridin-2-ylbutyl)cyclopropane-1-carboxylic acid
CID 83930047
6-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 45331244
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 127117899
cis-(1R,2S)-2-methyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclopropane-1-carboxamide
CID 31442780
2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoyl chloride
CID 117047620

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]cyclopropane-1-carboxylic acid (CID 83931825) is 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]cyclopropane-1-carboxylic acid is CCC(CC1CC1C(=O)O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]cyclopropane-1-carboxylic acid?
The InChIKey is VZYJBRUPPZOXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-2-12(9-16-11-17(16)18(19)20)15-8-7-13-5-3-4-6-14(13)10-15/h7-8,10,12,16-17H,2-6,9,11H2,1H3,(H,19,20).
What are the key properties of 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]cyclopropane-1-carboxylic acid?
2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]cyclopropane-1-carboxylic acid has a molecular weight of 272.39 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83931825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).