(1,3,3-trimethyl-2H-inden-1-yl) 2,2-dimethylpropanoate

C17H24O2 — CID 129105697

IUPAC(1,3,3-trimethyl-2H-inden-1-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1(C)CC(C)(C)c2ccccc21
InChIInChI=1S/C17H24O2/c1-15(2,3)14(18)19-17(6)11-16(4,5)12-9-7-8-10-13(12)17/h7-10H,11H2,1-6H3
InChIKeyHJJLZUCNYUZXSF-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.17
Rot. Bonds1

About (1,3,3-trimethyl-2H-inden-1-yl) 2,2-dimethylpropanoate

(1,3,3-trimethyl-2H-inden-1-yl) 2,2-dimethylpropanoate (PubChem CID 129105697) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (1,3,3-trimethyl-2H-inden-1-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(1,3,3-trimethyl-2H-inden-1-yl) 2,2-dimethylpropanoate
PubChem CID129105697
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(1,3,3-trimethyl-2H-inden-1-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1(C)CC(C)(C)c2ccccc21
InChIInChI=1S/C17H24O2/c1-15(2,3)14(18)19-17(6)11-16(4,5)12-9-7-8-10-13(12)17/h7-10H,11H2,1-6H3
InChIKeyHJJLZUCNYUZXSF-UHFFFAOYSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,3,3-trimethyl-2H-inden-1-yl) 2,2-dimethylpropanoate?
The IUPAC name of (1,3,3-trimethyl-2H-inden-1-yl) 2,2-dimethylpropanoate (CID 129105697) is (1,3,3-trimethyl-2H-inden-1-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (1,3,3-trimethyl-2H-inden-1-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (1,3,3-trimethyl-2H-inden-1-yl) 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC1(C)CC(C)(C)c2ccccc21.
What is the InChIKey of (1,3,3-trimethyl-2H-inden-1-yl) 2,2-dimethylpropanoate?
The InChIKey is HJJLZUCNYUZXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-15(2,3)14(18)19-17(6)11-16(4,5)12-9-7-8-10-13(12)17/h7-10H,11H2,1-6H3.
What are the key properties of (1,3,3-trimethyl-2H-inden-1-yl) 2,2-dimethylpropanoate?
(1,3,3-trimethyl-2H-inden-1-yl) 2,2-dimethylpropanoate has a molecular weight of 260.38 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3,3-trimethyl-2H-inden-1-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 129105697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).