2-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentanoic acid

C16H22O3 — CID 112511655

IUPAC2-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentanoic acid
SMILESCC(CCCOc1cccc2c1CCCC2)C(=O)O
InChIInChI=1S/C16H22O3/c1-12(16(17)18)6-5-11-19-15-10-4-8-13-7-2-3-9-14(13)15/h4,8,10,12H,2-3,5-7,9,11H2,1H3,(H,17,18)
InChIKeyUTFUIDGANOQFIJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.45
Rot. Bonds6

About 2-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentanoic acid

2-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentanoic acid (PubChem CID 112511655) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentanoic acid
PubChem CID112511655
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentanoic acid
SMILESCC(CCCOc1cccc2c1CCCC2)C(=O)O
InChIInChI=1S/C16H22O3/c1-12(16(17)18)6-5-11-19-15-10-4-8-13-7-2-3-9-14(13)15/h4,8,10,12H,2-3,5-7,9,11H2,1H3,(H,17,18)
InChIKeyUTFUIDGANOQFIJ-UHFFFAOYSA-N
XLogP3.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-one
CID 39349304
5-butoxy-1,2,3,4-tetrahydronaphthalene
CID 57014002
5-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 11310357
2-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoic acid
CID 112511653
1-amino-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-ol
CID 112508761
2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid;undecane
CID 144530231
N-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanehydrazide
CID 116820578
2-amino-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid
CID 19855453
2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43538421
4-(4-fluorophenyl)-2-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propoxy]benzoic acid
CID 67336685
(2S)-5-(2,5-dimethylphenoxy)-2-methylpentanoic acid
CID 92849810
N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetohydrazide
CID 116820516

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentanoic acid?
The IUPAC name of 2-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentanoic acid (CID 112511655) is 2-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentanoic acid.
What is the SMILES notation for 2-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentanoic acid?
The canonical SMILES for 2-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentanoic acid is CC(CCCOc1cccc2c1CCCC2)C(=O)O.
What is the InChIKey of 2-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentanoic acid?
The InChIKey is UTFUIDGANOQFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-12(16(17)18)6-5-11-19-15-10-4-8-13-7-2-3-9-14(13)15/h4,8,10,12H,2-3,5-7,9,11H2,1H3,(H,17,18).
What are the key properties of 2-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentanoic acid?
2-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentanoic acid has a molecular weight of 262.35 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentanoic acid is sourced from PubChem (CID 112511655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).