2-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)acetic acid

C17H24O2 — CID 618585

IUPAC2-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)acetic acid
SMILESCC(C)(C)c1cc(CC(=O)O)c2c(c1)C(C)(C)CC2
InChIInChI=1S/C17H24O2/c1-16(2,3)12-8-11(9-15(18)19)13-6-7-17(4,5)14(13)10-12/h8,10H,6-7,9H2,1-5H3,(H,18,19)
InChIKeyALWWZVIRTJZHPG-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.84
Rot. Bonds2

About 2-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)acetic acid

2-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)acetic acid (PubChem CID 618585) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)acetic acid
PubChem CID618585
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)acetic acid
SMILESCC(C)(C)c1cc(CC(=O)O)c2c(c1)C(C)(C)CC2
InChIInChI=1S/C17H24O2/c1-16(2,3)12-8-11(9-15(18)19)13-6-7-17(4,5)14(13)10-12/h8,10H,6-7,9H2,1-5H3,(H,18,19)
InChIKeyALWWZVIRTJZHPG-UHFFFAOYSA-N
XLogP3.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)acetic acid?
The IUPAC name of 2-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)acetic acid (CID 618585) is 2-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)acetic acid.
What is the SMILES notation for 2-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)acetic acid?
The canonical SMILES for 2-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)acetic acid is CC(C)(C)c1cc(CC(=O)O)c2c(c1)C(C)(C)CC2.
What is the InChIKey of 2-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)acetic acid?
The InChIKey is ALWWZVIRTJZHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-16(2,3)12-8-11(9-15(18)19)13-6-7-17(4,5)14(13)10-12/h8,10H,6-7,9H2,1-5H3,(H,18,19).
What are the key properties of 2-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)acetic acid?
2-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)acetic acid has a molecular weight of 260.38 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)acetic acid is sourced from PubChem (CID 618585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).