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

C18H20O2 — CID 66368436

IUPAC2,2-diethyl-3-naphthalen-1-yloxycyclobutan-1-one
SMILESCCC1(CC)C(=O)CC1Oc1cccc2ccccc12
InChIInChI=1S/C18H20O2/c1-3-18(4-2)16(19)12-17(18)20-15-11-7-9-13-8-5-6-10-14(13)15/h5-11,17H,3-4,12H2,1-2H3
InChIKeyHXXUPZZYDILELE-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.37
Rot. Bonds4

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

2,2-diethyl-3-naphthalen-1-yloxycyclobutan-1-one (PubChem CID 66368436) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2,2-diethyl-3-naphthalen-1-yloxycyclobutan-1-one.

Molecular Properties

Compound Name2,2-diethyl-3-naphthalen-1-yloxycyclobutan-1-one
PubChem CID66368436
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name2,2-diethyl-3-naphthalen-1-yloxycyclobutan-1-one
SMILESCCC1(CC)C(=O)CC1Oc1cccc2ccccc12
InChIInChI=1S/C18H20O2/c1-3-18(4-2)16(19)12-17(18)20-15-11-7-9-13-8-5-6-10-14(13)15/h5-11,17H,3-4,12H2,1-2H3
InChIKeyHXXUPZZYDILELE-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-naphthalen-1-yloxycyclobutan-1-one?
The IUPAC name of 2,2-diethyl-3-naphthalen-1-yloxycyclobutan-1-one (CID 66368436) is 2,2-diethyl-3-naphthalen-1-yloxycyclobutan-1-one.
What is the SMILES notation for 2,2-diethyl-3-naphthalen-1-yloxycyclobutan-1-one?
The canonical SMILES for 2,2-diethyl-3-naphthalen-1-yloxycyclobutan-1-one is CCC1(CC)C(=O)CC1Oc1cccc2ccccc12.
What is the InChIKey of 2,2-diethyl-3-naphthalen-1-yloxycyclobutan-1-one?
The InChIKey is HXXUPZZYDILELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-3-18(4-2)16(19)12-17(18)20-15-11-7-9-13-8-5-6-10-14(13)15/h5-11,17H,3-4,12H2,1-2H3.
What are the key properties of 2,2-diethyl-3-naphthalen-1-yloxycyclobutan-1-one?
2,2-diethyl-3-naphthalen-1-yloxycyclobutan-1-one has a molecular weight of 268.36 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-naphthalen-1-yloxycyclobutan-1-one is sourced from PubChem (CID 66368436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).