1-cyclopropyl-3-ethoxyhexan-2-one

C11H20O2 — CID 116707889

IUPAC1-cyclopropyl-3-ethoxyhexan-2-one
SMILESCCCC(OCC)C(=O)CC1CC1
InChIInChI=1S/C11H20O2/c1-3-5-11(13-4-2)10(12)8-9-6-7-9/h9,11H,3-8H2,1-2H3
InChIKeyYXMITCNUOQKYSY-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.56
Rot. Bonds7

About 1-cyclopropyl-3-ethoxyhexan-2-one

1-cyclopropyl-3-ethoxyhexan-2-one (PubChem CID 116707889) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethoxyhexan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-ethoxyhexan-2-one
PubChem CID116707889
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-cyclopropyl-3-ethoxyhexan-2-one
SMILESCCCC(OCC)C(=O)CC1CC1
InChIInChI=1S/C11H20O2/c1-3-5-11(13-4-2)10(12)8-9-6-7-9/h9,11H,3-8H2,1-2H3
InChIKeyYXMITCNUOQKYSY-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxyhexan-2-one
CID 116707982
cyclohexyl 2-ethoxypentanoate
CID 70132370
6-ethoxy-1,1,1-trifluorononan-5-one
CID 116707742
1-cyclopropyl-4-ethoxyhexan-3-one
CID 116707506
4-ethoxyoctan-3-one
CID 83226323
1-(oxan-4-yl)-3-propylhexan-2-one
CID 114969192
4-ethoxy-2-methylhept-1-en-3-one
CID 116707899
ethyl 2-(2-cyclopropylacetyl)-4-oxoheptanoate
CID 165473914
1-[4-[ethoxy(hydroxy)methyl]cyclohexyl]propan-2-one
CID 163849050
3-ethoxy-1-pyridin-2-ylhexan-2-one
CID 116707835
3-ethoxy-1-pyridin-4-ylhexan-2-one
CID 116707737
ethyl 2-(2-cyclopropylacetyl)-5,5-dimethyl-4-oxohexanoate
CID 165473910

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethoxyhexan-2-one?
The IUPAC name of 1-cyclopropyl-3-ethoxyhexan-2-one (CID 116707889) is 1-cyclopropyl-3-ethoxyhexan-2-one.
What is the SMILES notation for 1-cyclopropyl-3-ethoxyhexan-2-one?
The canonical SMILES for 1-cyclopropyl-3-ethoxyhexan-2-one is CCCC(OCC)C(=O)CC1CC1.
What is the InChIKey of 1-cyclopropyl-3-ethoxyhexan-2-one?
The InChIKey is YXMITCNUOQKYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-5-11(13-4-2)10(12)8-9-6-7-9/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-ethoxyhexan-2-one?
1-cyclopropyl-3-ethoxyhexan-2-one has a molecular weight of 184.28 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-ethoxyhexan-2-one is sourced from PubChem (CID 116707889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).