2,2-dimethyl-3-naphthalen-1-yloxycyclobutan-1-one

C16H16O2 — CID 66368643

IUPAC2,2-dimethyl-3-naphthalen-1-yloxycyclobutan-1-one
SMILESCC1(C)C(=O)CC1Oc1cccc2ccccc12
InChIInChI=1S/C16H16O2/c1-16(2)14(17)10-15(16)18-13-9-5-7-11-6-3-4-8-12(11)13/h3-9,15H,10H2,1-2H3
InChIKeyLTKYSSNJAZPYMU-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.59
Rot. Bonds2

About 2,2-dimethyl-3-naphthalen-1-yloxycyclobutan-1-one

2,2-dimethyl-3-naphthalen-1-yloxycyclobutan-1-one (PubChem CID 66368643) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-naphthalen-1-yloxycyclobutan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-3-naphthalen-1-yloxycyclobutan-1-one
PubChem CID66368643
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2,2-dimethyl-3-naphthalen-1-yloxycyclobutan-1-one
SMILESCC1(C)C(=O)CC1Oc1cccc2ccccc12
InChIInChI=1S/C16H16O2/c1-16(2)14(17)10-15(16)18-13-9-5-7-11-6-3-4-8-12(11)13/h3-9,15H,10H2,1-2H3
InChIKeyLTKYSSNJAZPYMU-UHFFFAOYSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-naphthalen-1-yloxycyclobutan-1-one?
The IUPAC name of 2,2-dimethyl-3-naphthalen-1-yloxycyclobutan-1-one (CID 66368643) is 2,2-dimethyl-3-naphthalen-1-yloxycyclobutan-1-one.
What is the SMILES notation for 2,2-dimethyl-3-naphthalen-1-yloxycyclobutan-1-one?
The canonical SMILES for 2,2-dimethyl-3-naphthalen-1-yloxycyclobutan-1-one is CC1(C)C(=O)CC1Oc1cccc2ccccc12.
What is the InChIKey of 2,2-dimethyl-3-naphthalen-1-yloxycyclobutan-1-one?
The InChIKey is LTKYSSNJAZPYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-16(2)14(17)10-15(16)18-13-9-5-7-11-6-3-4-8-12(11)13/h3-9,15H,10H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-naphthalen-1-yloxycyclobutan-1-one?
2,2-dimethyl-3-naphthalen-1-yloxycyclobutan-1-one has a molecular weight of 240.30 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-naphthalen-1-yloxycyclobutan-1-one is sourced from PubChem (CID 66368643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).