2,2-diethyl-3-methoxycyclobutan-1-one

C9H16O2 — CID 66367012

IUPAC2,2-diethyl-3-methoxycyclobutan-1-one
SMILESCCC1(CC)C(=O)CC1OC
InChIInChI=1S/C9H16O2/c1-4-9(5-2)7(10)6-8(9)11-3/h8H,4-6H2,1-3H3
InChIKeyZKVKBFLJQRIBKD-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.78
Rot. Bonds3

About 2,2-diethyl-3-methoxycyclobutan-1-one

2,2-diethyl-3-methoxycyclobutan-1-one (PubChem CID 66367012) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2,2-diethyl-3-methoxycyclobutan-1-one.

Molecular Properties

Compound Name2,2-diethyl-3-methoxycyclobutan-1-one
PubChem CID66367012
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2,2-diethyl-3-methoxycyclobutan-1-one
SMILESCCC1(CC)C(=O)CC1OC
InChIInChI=1S/C9H16O2/c1-4-9(5-2)7(10)6-8(9)11-3/h8H,4-6H2,1-3H3
InChIKeyZKVKBFLJQRIBKD-UHFFFAOYSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.78
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-methoxycyclobutan-1-one?
The IUPAC name of 2,2-diethyl-3-methoxycyclobutan-1-one (CID 66367012) is 2,2-diethyl-3-methoxycyclobutan-1-one.
What is the SMILES notation for 2,2-diethyl-3-methoxycyclobutan-1-one?
The canonical SMILES for 2,2-diethyl-3-methoxycyclobutan-1-one is CCC1(CC)C(=O)CC1OC.
What is the InChIKey of 2,2-diethyl-3-methoxycyclobutan-1-one?
The InChIKey is ZKVKBFLJQRIBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-9(5-2)7(10)6-8(9)11-3/h8H,4-6H2,1-3H3.
What are the key properties of 2,2-diethyl-3-methoxycyclobutan-1-one?
2,2-diethyl-3-methoxycyclobutan-1-one has a molecular weight of 156.22 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-methoxycyclobutan-1-one is sourced from PubChem (CID 66367012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).