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

C16H22O3 — CID 112511653

IUPAC2-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoic acid
SMILESCC(CCCOc1ccc2c(c1)CCCC2)C(=O)O
InChIInChI=1S/C16H22O3/c1-12(16(17)18)5-4-10-19-15-9-8-13-6-2-3-7-14(13)11-15/h8-9,11-12H,2-7,10H2,1H3,(H,17,18)
InChIKeySNPUOKBBMNYPSI-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.45
Rot. Bonds6

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

2-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoic acid (PubChem CID 112511653) 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-2-yloxy)pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoic acid
PubChem CID112511653
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoic acid
SMILESCC(CCCOc1ccc2c(c1)CCCC2)C(=O)O
InChIInChI=1S/C16H22O3/c1-12(16(17)18)5-4-10-19-15-9-8-13-6-2-3-7-14(13)11-15/h8-9,11-12H,2-7,10H2,1H3,(H,17,18)
InChIKeySNPUOKBBMNYPSI-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

2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-methylbutanoic acid
CID 112509249
2-ethoxy-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid
CID 63075394
4-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxybutanoic acid
CID 55180899
5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one
CID 43793468
2-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentanoic acid
CID 112511655
3-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
CID 113101536
2-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol
CID 64810805
2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethylamino]acetic acid
CID 94689863
4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine
CID 62460874
5-(6-chlorohexoxy)-2,3-dihydro-1H-indene
CID 63499663
methyl 2-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yloxy)butanoate
CID 63039299
2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid
CID 62628167

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoic acid?
The IUPAC name of 2-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoic acid (CID 112511653) is 2-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoic acid.
What is the SMILES notation for 2-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoic acid?
The canonical SMILES for 2-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoic acid is CC(CCCOc1ccc2c(c1)CCCC2)C(=O)O.
What is the InChIKey of 2-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoic acid?
The InChIKey is SNPUOKBBMNYPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-12(16(17)18)5-4-10-19-15-9-8-13-6-2-3-7-14(13)11-15/h8-9,11-12H,2-7,10H2,1H3,(H,17,18).
What are the key properties of 2-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoic acid?
2-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-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-2-yloxy)pentanoic acid is sourced from PubChem (CID 112511653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).