3,3-dimethyl-6-propan-2-yl-2H-inden-1-one

C14H18O — CID 79837737

IUPAC3,3-dimethyl-6-propan-2-yl-2H-inden-1-one
SMILESCC(C)c1ccc2c(c1)C(=O)CC2(C)C
InChIInChI=1S/C14H18O/c1-9(2)10-5-6-12-11(7-10)13(15)8-14(12,3)4/h5-7,9H,8H2,1-4H3
InChIKeyKWPKRLLQZUMZSV-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.67
Rot. Bonds1

About 3,3-dimethyl-6-propan-2-yl-2H-inden-1-one

3,3-dimethyl-6-propan-2-yl-2H-inden-1-one (PubChem CID 79837737) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 3,3-dimethyl-6-propan-2-yl-2H-inden-1-one.

Molecular Properties

Compound Name3,3-dimethyl-6-propan-2-yl-2H-inden-1-one
PubChem CID79837737
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name3,3-dimethyl-6-propan-2-yl-2H-inden-1-one
SMILESCC(C)c1ccc2c(c1)C(=O)CC2(C)C
InChIInChI=1S/C14H18O/c1-9(2)10-5-6-12-11(7-10)13(15)8-14(12,3)4/h5-7,9H,8H2,1-4H3
InChIKeyKWPKRLLQZUMZSV-UHFFFAOYSA-N
XLogP3.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-butan-2-yl-3,3-dimethyl-2H-inden-1-one
CID 79837924
6-propan-2-ylspiro[2H-indene-3,1'-cyclopropane]-1-one
CID 83753374
2-(1-methyl-3-oxo-5-propan-2-yl-2H-inden-1-yl)acetic acid
CID 82159460
3,3,6-trimethyl-2H-inden-1-one
CID 594538
4,4-dimethyl-2-(methylamino)-7-propan-2-yl-2,3-dihydronaphthalen-1-one
CID 84632031
3,3-dimethyl-4,6-di(propan-2-yl)-2H-inden-1-one
CID 79838310
6'-propan-2-ylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one
CID 135036043
1,1-dimethyl-3-oxo-2H-indene-5-diazonium bromide
CID 10849424
1,1-dimethyl-3-oxo-2H-indene-5-sulfonyl fluoride
CID 165460961
7-propan-2-ylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one
CID 67143896
(1S,4aS,10aR)-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carbaldehyde
CID 101109039
3,3-dimethyl-6-phenoxy-2H-inden-1-one
CID 79837455

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-propan-2-yl-2H-inden-1-one?
The IUPAC name of 3,3-dimethyl-6-propan-2-yl-2H-inden-1-one (CID 79837737) is 3,3-dimethyl-6-propan-2-yl-2H-inden-1-one.
What is the SMILES notation for 3,3-dimethyl-6-propan-2-yl-2H-inden-1-one?
The canonical SMILES for 3,3-dimethyl-6-propan-2-yl-2H-inden-1-one is CC(C)c1ccc2c(c1)C(=O)CC2(C)C.
What is the InChIKey of 3,3-dimethyl-6-propan-2-yl-2H-inden-1-one?
The InChIKey is KWPKRLLQZUMZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-9(2)10-5-6-12-11(7-10)13(15)8-14(12,3)4/h5-7,9H,8H2,1-4H3.
What are the key properties of 3,3-dimethyl-6-propan-2-yl-2H-inden-1-one?
3,3-dimethyl-6-propan-2-yl-2H-inden-1-one has a molecular weight of 202.30 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-propan-2-yl-2H-inden-1-one is sourced from PubChem (CID 79837737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).