3-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanoic acid

C15H20O3 — CID 82086855

IUPAC3-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanoic acid
SMILESCC(C)(CC(=O)O)Oc1cccc2c1CCCC2
InChIInChI=1S/C15H20O3/c1-15(2,10-14(16)17)18-13-9-5-7-11-6-3-4-8-12(11)13/h5,7,9H,3-4,6,8,10H2,1-2H3,(H,16,17)
InChIKeyDZSHVNKCJMIYTK-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.20
Rot. Bonds4

About 3-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanoic acid

3-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanoic acid (PubChem CID 82086855) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 3-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanoic acid.

Molecular Properties

Compound Name3-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanoic acid
PubChem CID82086855
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name3-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanoic acid
SMILESCC(C)(CC(=O)O)Oc1cccc2c1CCCC2
InChIInChI=1S/C15H20O3/c1-15(2,10-14(16)17)18-13-9-5-7-11-6-3-4-8-12(11)13/h5,7,9H,3-4,6,8,10H2,1-2H3,(H,16,17)
InChIKeyDZSHVNKCJMIYTK-UHFFFAOYSA-N
XLogP3.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-(2-methylphenoxy)butanoic acid
CID 82077638
3-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid
CID 82086851
2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid;undecane
CID 144530231
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
3-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-methylbutanoic acid
CID 117373977
2-amino-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid
CID 19855453
2-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentanoic acid
CID 112511655
4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-one
CID 39349304
(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 100544151
2,3-dihydro-1H-inden-4-yl 4-tert-butyl-3-methylbenzoate
CID 130395698
N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetohydrazide
CID 116820516
2-(2,3-dihydro-1H-inden-4-yl)acetic acid
CID 15212214

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanoic acid?
The IUPAC name of 3-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanoic acid (CID 82086855) is 3-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanoic acid.
What is the SMILES notation for 3-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanoic acid?
The canonical SMILES for 3-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanoic acid is CC(C)(CC(=O)O)Oc1cccc2c1CCCC2.
What is the InChIKey of 3-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanoic acid?
The InChIKey is DZSHVNKCJMIYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-15(2,10-14(16)17)18-13-9-5-7-11-6-3-4-8-12(11)13/h5,7,9H,3-4,6,8,10H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanoic acid?
3-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanoic acid has a molecular weight of 248.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanoic acid is sourced from PubChem (CID 82086855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).