ethane;3-ethyl-3-propan-2-yl-1H-inden-2-one

C16H24O — CID 177033709

IUPACethane;3-ethyl-3-propan-2-yl-1H-inden-2-one
SMILESCC.CCC1(C(C)C)C(=O)Cc2ccccc21
InChIInChI=1S/C14H18O.C2H6/c1-4-14(10(2)3)12-8-6-5-7-11(12)9-13(14)15;1-2/h5-8,10H,4,9H2,1-3H3;1-2H3
InChIKeyNSCBVTYCVZEIDT-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.14
Rot. Bonds2

About ethane;3-ethyl-3-propan-2-yl-1H-inden-2-one

ethane;3-ethyl-3-propan-2-yl-1H-inden-2-one (PubChem CID 177033709) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is ethane;3-ethyl-3-propan-2-yl-1H-inden-2-one.

Molecular Properties

Compound Nameethane;3-ethyl-3-propan-2-yl-1H-inden-2-one
PubChem CID177033709
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Nameethane;3-ethyl-3-propan-2-yl-1H-inden-2-one
SMILESCC.CCC1(C(C)C)C(=O)Cc2ccccc21
InChIInChI=1S/C14H18O.C2H6/c1-4-14(10(2)3)12-8-6-5-7-11(12)9-13(14)15;1-2/h5-8,10H,4,9H2,1-3H3;1-2H3
InChIKeyNSCBVTYCVZEIDT-UHFFFAOYSA-N
XLogP4.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-2-oxo-3H-indene-1-carboxylic acid
CID 18448916
9-ethyl-9-propan-2-ylfluorene
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3-ethyl-3-propan-2-yl-1H-indol-2-one
CID 45094674
(3R)-3-hydroxy-3-methyl-1H-inden-2-one
CID 100988192
ethane;methane;10,10'-spirobi[9H-anthracene]
CID 157229277
3-methyl-3-phenyl-1H-inden-2-one
CID 66651875
2,2-diethyl-4H-naphthalene-1,3-dione
CID 173029100
1-methyl-1-propan-2-yl-3,4-dihydronaphthalen-2-one
CID 170601933
3,3-bis[2,2-bis(diethoxyphosphoryl)ethyl]-1H-inden-2-one
CID 56934533
2-methylidene-3-propan-2-yl-3-[(3-propan-2-yl-1H-inden-2-yl)methyl]-1H-indene
CID 100983243
1'-methylspiro[1H-indene-3,3'-azetidine]-2-one
CID 170719350
ethane;spiro[9H-anthracene-10,9'-fluorene]
CID 90717340

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-3-propan-2-yl-1H-inden-2-one?
The IUPAC name of ethane;3-ethyl-3-propan-2-yl-1H-inden-2-one (CID 177033709) is ethane;3-ethyl-3-propan-2-yl-1H-inden-2-one.
What is the SMILES notation for ethane;3-ethyl-3-propan-2-yl-1H-inden-2-one?
The canonical SMILES for ethane;3-ethyl-3-propan-2-yl-1H-inden-2-one is CC.CCC1(C(C)C)C(=O)Cc2ccccc21.
What is the InChIKey of ethane;3-ethyl-3-propan-2-yl-1H-inden-2-one?
The InChIKey is NSCBVTYCVZEIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O.C2H6/c1-4-14(10(2)3)12-8-6-5-7-11(12)9-13(14)15;1-2/h5-8,10H,4,9H2,1-3H3;1-2H3.
What are the key properties of ethane;3-ethyl-3-propan-2-yl-1H-inden-2-one?
ethane;3-ethyl-3-propan-2-yl-1H-inden-2-one has a molecular weight of 232.37 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-3-propan-2-yl-1H-inden-2-one is sourced from PubChem (CID 177033709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).