3-cyclopentyloxy-2-ethyl-2-methylcyclobutan-1-one

C12H20O2 — CID 66369255

IUPAC3-cyclopentyloxy-2-ethyl-2-methylcyclobutan-1-one
SMILESCCC1(C)C(=O)CC1OC1CCCC1
InChIInChI=1S/C12H20O2/c1-3-12(2)10(13)8-11(12)14-9-6-4-5-7-9/h9,11H,3-8H2,1-2H3
InChIKeyGHMHGZITDUIRQS-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.70
Rot. Bonds3

About 3-cyclopentyloxy-2-ethyl-2-methylcyclobutan-1-one

3-cyclopentyloxy-2-ethyl-2-methylcyclobutan-1-one (PubChem CID 66369255) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-cyclopentyloxy-2-ethyl-2-methylcyclobutan-1-one.

Molecular Properties

Compound Name3-cyclopentyloxy-2-ethyl-2-methylcyclobutan-1-one
PubChem CID66369255
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name3-cyclopentyloxy-2-ethyl-2-methylcyclobutan-1-one
SMILESCCC1(C)C(=O)CC1OC1CCCC1
InChIInChI=1S/C12H20O2/c1-3-12(2)10(13)8-11(12)14-9-6-4-5-7-9/h9,11H,3-8H2,1-2H3
InChIKeyGHMHGZITDUIRQS-UHFFFAOYSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-2-ethyl-2-methylcyclobutan-1-one?
The IUPAC name of 3-cyclopentyloxy-2-ethyl-2-methylcyclobutan-1-one (CID 66369255) is 3-cyclopentyloxy-2-ethyl-2-methylcyclobutan-1-one.
What is the SMILES notation for 3-cyclopentyloxy-2-ethyl-2-methylcyclobutan-1-one?
The canonical SMILES for 3-cyclopentyloxy-2-ethyl-2-methylcyclobutan-1-one is CCC1(C)C(=O)CC1OC1CCCC1.
What is the InChIKey of 3-cyclopentyloxy-2-ethyl-2-methylcyclobutan-1-one?
The InChIKey is GHMHGZITDUIRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-12(2)10(13)8-11(12)14-9-6-4-5-7-9/h9,11H,3-8H2,1-2H3.
What are the key properties of 3-cyclopentyloxy-2-ethyl-2-methylcyclobutan-1-one?
3-cyclopentyloxy-2-ethyl-2-methylcyclobutan-1-one has a molecular weight of 196.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-2-ethyl-2-methylcyclobutan-1-one is sourced from PubChem (CID 66369255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).