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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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).