2,2-diethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-one

C17H30O2 — CID 66366610

IUPAC2,2-diethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-one
SMILESCCC1(CC)C(=O)CC1OC1CC(C)CC(C)(C)C1
InChIInChI=1S/C17H30O2/c1-6-17(7-2)14(18)9-15(17)19-13-8-12(3)10-16(4,5)11-13/h12-13,15H,6-11H2,1-5H3
InChIKeyXDKBMDVUCSBJPG-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.37
Rot. Bonds4

About 2,2-diethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-one

2,2-diethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-one (PubChem CID 66366610) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 2,2-diethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-one.

Molecular Properties

Compound Name2,2-diethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-one
PubChem CID66366610
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name2,2-diethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-one
SMILESCCC1(CC)C(=O)CC1OC1CC(C)CC(C)(C)C1
InChIInChI=1S/C17H30O2/c1-6-17(7-2)14(18)9-15(17)19-13-8-12(3)10-16(4,5)11-13/h12-13,15H,6-11H2,1-5H3
InChIKeyXDKBMDVUCSBJPG-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
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-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-one?
The IUPAC name of 2,2-diethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-one (CID 66366610) is 2,2-diethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-one.
What is the SMILES notation for 2,2-diethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-one?
The canonical SMILES for 2,2-diethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-one is CCC1(CC)C(=O)CC1OC1CC(C)CC(C)(C)C1.
What is the InChIKey of 2,2-diethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-one?
The InChIKey is XDKBMDVUCSBJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-6-17(7-2)14(18)9-15(17)19-13-8-12(3)10-16(4,5)11-13/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 2,2-diethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-one?
2,2-diethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-one has a molecular weight of 266.42 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-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-one is sourced from PubChem (CID 66366610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).