2,3-dihydro-1H-inden-1-yl 2,2-dimethylpropanoate

C14H18O2 — CID 10262840

IUPAC2,3-dihydro-1H-inden-1-yl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1CCc2ccccc21
InChIInChI=1S/C14H18O2/c1-14(2,3)13(15)16-12-9-8-10-6-4-5-7-11(10)12/h4-7,12H,8-9H2,1-3H3
InChIKeyPJESZKMVKBRKCT-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.26
Rot. Bonds1

About 2,3-dihydro-1H-inden-1-yl 2,2-dimethylpropanoate

2,3-dihydro-1H-inden-1-yl 2,2-dimethylpropanoate (PubChem CID 10262840) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-1-yl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-1-yl 2,2-dimethylpropanoate
PubChem CID10262840
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2,3-dihydro-1H-inden-1-yl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1CCc2ccccc21
InChIInChI=1S/C14H18O2/c1-14(2,3)13(15)16-12-9-8-10-6-4-5-7-11(10)12/h4-7,12H,8-9H2,1-3H3
InChIKeyPJESZKMVKBRKCT-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-1-yl 2,2-dimethylpropanoate?
The IUPAC name of 2,3-dihydro-1H-inden-1-yl 2,2-dimethylpropanoate (CID 10262840) is 2,3-dihydro-1H-inden-1-yl 2,2-dimethylpropanoate.
What is the SMILES notation for 2,3-dihydro-1H-inden-1-yl 2,2-dimethylpropanoate?
The canonical SMILES for 2,3-dihydro-1H-inden-1-yl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC1CCc2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-inden-1-yl 2,2-dimethylpropanoate?
The InChIKey is PJESZKMVKBRKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-14(2,3)13(15)16-12-9-8-10-6-4-5-7-11(10)12/h4-7,12H,8-9H2,1-3H3.
What are the key properties of 2,3-dihydro-1H-inden-1-yl 2,2-dimethylpropanoate?
2,3-dihydro-1H-inden-1-yl 2,2-dimethylpropanoate has a molecular weight of 218.30 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-1-yl 2,2-dimethylpropanoate is sourced from PubChem (CID 10262840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).