4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid

C19H28O2 — CID 116525810

IUPAC4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid
SMILESCC(CCC(=O)O)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C19H28O2/c1-13(6-9-17(20)21)14-7-8-15-16(12-14)19(4,5)11-10-18(15,2)3/h7-8,12-13H,6,9-11H2,1-5H3,(H,20,21)
InChIKeyIFQRPCWAYKHLQY-UHFFFAOYSA-N
MW288.43 g/mol
LogP5.00
Rot. Bonds4

About 4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid

4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid (PubChem CID 116525810) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid.

Molecular Properties

Compound Name4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid
PubChem CID116525810
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid
SMILESCC(CCC(=O)O)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C19H28O2/c1-13(6-9-17(20)21)14-7-8-15-16(12-14)19(4,5)11-10-18(15,2)3/h7-8,12-13H,6,9-11H2,1-5H3,(H,20,21)
InChIKeyIFQRPCWAYKHLQY-UHFFFAOYSA-N
XLogP5.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid?
The IUPAC name of 4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid (CID 116525810) is 4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid.
What is the SMILES notation for 4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid?
The canonical SMILES for 4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid is CC(CCC(=O)O)c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of 4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid?
The InChIKey is IFQRPCWAYKHLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-13(6-9-17(20)21)14-7-8-15-16(12-14)19(4,5)11-10-18(15,2)3/h7-8,12-13H,6,9-11H2,1-5H3,(H,20,21).
What are the key properties of 4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid?
4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid has a molecular weight of 288.43 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid is sourced from PubChem (CID 116525810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).