1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)butan-1-one

C16H22O — CID 83047721

IUPAC1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)butan-1-one
SMILESCCCC(=O)C1CCC(C)(C)c2ccccc21
InChIInChI=1S/C16H22O/c1-4-7-15(17)13-10-11-16(2,3)14-9-6-5-8-12(13)14/h5-6,8-9,13H,4,7,10-11H2,1-3H3
InChIKeySUTZAGNCBWPGBL-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.21
Rot. Bonds3

About 1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)butan-1-one

1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)butan-1-one (PubChem CID 83047721) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)butan-1-one
PubChem CID83047721
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)butan-1-one
SMILESCCCC(=O)C1CCC(C)(C)c2ccccc21
InChIInChI=1S/C16H22O/c1-4-7-15(17)13-10-11-16(2,3)14-9-6-5-8-12(13)14/h5-6,8-9,13H,4,7,10-11H2,1-3H3
InChIKeySUTZAGNCBWPGBL-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)butan-1-one?
The IUPAC name of 1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)butan-1-one (CID 83047721) is 1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)butan-1-one.
What is the SMILES notation for 1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)butan-1-one?
The canonical SMILES for 1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)butan-1-one is CCCC(=O)C1CCC(C)(C)c2ccccc21.
What is the InChIKey of 1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)butan-1-one?
The InChIKey is SUTZAGNCBWPGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-4-7-15(17)13-10-11-16(2,3)14-9-6-5-8-12(13)14/h5-6,8-9,13H,4,7,10-11H2,1-3H3.
What are the key properties of 1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)butan-1-one?
1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)butan-1-one has a molecular weight of 230.35 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)butan-1-one is sourced from PubChem (CID 83047721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).