tert-butyl 2-(3H-inden-5-yl)acetate

C15H18O2 — CID 158672073

IUPACtert-butyl 2-(3H-inden-5-yl)acetate
SMILESCC(C)(C)OC(=O)Cc1ccc2c(c1)CC=C2
InChIInChI=1S/C15H18O2/c1-15(2,3)17-14(16)10-11-7-8-12-5-4-6-13(12)9-11/h4-5,7-9H,6,10H2,1-3H3
InChIKeyRQYVNTXRRQSVEW-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.14
Rot. Bonds2

About tert-butyl 2-(3H-inden-5-yl)acetate

tert-butyl 2-(3H-inden-5-yl)acetate (PubChem CID 158672073) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl 2-(3H-inden-5-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3H-inden-5-yl)acetate
PubChem CID158672073
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Nametert-butyl 2-(3H-inden-5-yl)acetate
SMILESCC(C)(C)OC(=O)Cc1ccc2c(c1)CC=C2
InChIInChI=1S/C15H18O2/c1-15(2,3)17-14(16)10-11-7-8-12-5-4-6-13(12)9-11/h4-5,7-9H,6,10H2,1-3H3
InChIKeyRQYVNTXRRQSVEW-UHFFFAOYSA-N
XLogP3.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 140721674
tert-butyl 2-[4-(1-methylcyclopropyl)phenyl]acetate
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tert-butyl 2-[4-(1-hydroxycyclopropyl)phenyl]acetate
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1-(1H-inden-5-yl)-4,4-dimethylpentan-2-one
CID 90748729
methyl 3-[(2S)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate
CID 159363969
tert-butyl 2-(3-ethylphenyl)acetate
CID 71064752
tert-butyl 2-hydroxy-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoate
CID 137357211
tert-butyl 2-[4-(2-oxoethyl)phenyl]acetate
CID 159057903
1-(3H-inden-5-yl)ethanone;hydrochloride
CID 68526957
tert-butyl 2-[(2R)-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-6-yl]acetate
CID 149039355
tert-butyl 2-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]acetate
CID 161289804
tert-butyl 2-(3-bromo-4-formylphenyl)acetate
CID 159968952

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3H-inden-5-yl)acetate?
The IUPAC name of tert-butyl 2-(3H-inden-5-yl)acetate (CID 158672073) is tert-butyl 2-(3H-inden-5-yl)acetate.
What is the SMILES notation for tert-butyl 2-(3H-inden-5-yl)acetate?
The canonical SMILES for tert-butyl 2-(3H-inden-5-yl)acetate is CC(C)(C)OC(=O)Cc1ccc2c(c1)CC=C2.
What is the InChIKey of tert-butyl 2-(3H-inden-5-yl)acetate?
The InChIKey is RQYVNTXRRQSVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-15(2,3)17-14(16)10-11-7-8-12-5-4-6-13(12)9-11/h4-5,7-9H,6,10H2,1-3H3.
What are the key properties of tert-butyl 2-(3H-inden-5-yl)acetate?
tert-butyl 2-(3H-inden-5-yl)acetate has a molecular weight of 230.31 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3H-inden-5-yl)acetate is sourced from PubChem (CID 158672073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).