5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid

C19H28O2 — CID 10017002

IUPAC5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid
SMILESCC1(C)CCC(C)(C)c2cc(CCCCC(=O)O)ccc21
InChIInChI=1S/C19H28O2/c1-18(2)11-12-19(3,4)16-13-14(9-10-15(16)18)7-5-6-8-17(20)21/h9-10,13H,5-8,11-12H2,1-4H3,(H,20,21)
InChIKeyWVMRPODECJPUON-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.83
Rot. Bonds5

About 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid

5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid (PubChem CID 10017002) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid.

Molecular Properties

Compound Name5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid
PubChem CID10017002
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid
SMILESCC1(C)CCC(C)(C)c2cc(CCCCC(=O)O)ccc21
InChIInChI=1S/C19H28O2/c1-18(2)11-12-19(3,4)16-13-14(9-10-15(16)18)7-5-6-8-17(20)21/h9-10,13H,5-8,11-12H2,1-4H3,(H,20,21)
InChIKeyWVMRPODECJPUON-UHFFFAOYSA-N
XLogP4.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.83
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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Frequently Asked Questions

What is the IUPAC name of 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid?
The IUPAC name of 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid (CID 10017002) is 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid.
What is the SMILES notation for 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid?
The canonical SMILES for 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid is CC1(C)CCC(C)(C)c2cc(CCCCC(=O)O)ccc21.
What is the InChIKey of 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid?
The InChIKey is WVMRPODECJPUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-18(2)11-12-19(3,4)16-13-14(9-10-15(16)18)7-5-6-8-17(20)21/h9-10,13H,5-8,11-12H2,1-4H3,(H,20,21).
What are the key properties of 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid?
5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid has a molecular weight of 288.43 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid is sourced from PubChem (CID 10017002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).