1-(1-ethoxycyclopentyl)-2-methylprop-2-en-1-one

C11H18O2 — CID 116747766

IUPAC1-(1-ethoxycyclopentyl)-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)C1(OCC)CCCC1
InChIInChI=1S/C11H18O2/c1-4-13-11(7-5-6-8-11)10(12)9(2)3/h2,4-8H2,1,3H3
InChIKeyQVIOEXHXEJAJFX-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.48
Rot. Bonds4

About 1-(1-ethoxycyclopentyl)-2-methylprop-2-en-1-one

1-(1-ethoxycyclopentyl)-2-methylprop-2-en-1-one (PubChem CID 116747766) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-(1-ethoxycyclopentyl)-2-methylprop-2-en-1-one.

Molecular Properties

Compound Name1-(1-ethoxycyclopentyl)-2-methylprop-2-en-1-one
PubChem CID116747766
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-(1-ethoxycyclopentyl)-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)C1(OCC)CCCC1
InChIInChI=1S/C11H18O2/c1-4-13-11(7-5-6-8-11)10(12)9(2)3/h2,4-8H2,1,3H3
InChIKeyQVIOEXHXEJAJFX-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-ethoxycyclobutyl)-2-methylpropan-1-one
CID 176614668
1-(1-ethoxycycloheptyl)prop-2-yn-1-one
CID 116750710
1-(1-ethoxycyclohexyl)but-3-yn-1-one
CID 116748359
2-cyclobutyl-1-(1-ethoxycycloheptyl)ethanone
CID 116750829
1-(1-propoxycyclobutyl)ethanone
CID 83224918
1-(4-ethoxy-1-methylpiperidin-4-yl)ethanone
CID 83225181
1-ethoxycyclopropane-1-carbonyl chloride
CID 45081272
1-(1-ethoxycyclopentyl)-5-methylhexan-1-one
CID 116747883
(1-prop-1-en-2-ylcyclopentyl) acetate
CID 12721513
1-(1-ethoxycyclohexyl)-4-ethylsulfonylbutan-1-one
CID 116748256
(1-ethoxycyclohexyl)-(4-methylphenyl)methanone
CID 116748478
(1-ethoxycyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116747845

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclopentyl)-2-methylprop-2-en-1-one?
The IUPAC name of 1-(1-ethoxycyclopentyl)-2-methylprop-2-en-1-one (CID 116747766) is 1-(1-ethoxycyclopentyl)-2-methylprop-2-en-1-one.
What is the SMILES notation for 1-(1-ethoxycyclopentyl)-2-methylprop-2-en-1-one?
The canonical SMILES for 1-(1-ethoxycyclopentyl)-2-methylprop-2-en-1-one is C=C(C)C(=O)C1(OCC)CCCC1.
What is the InChIKey of 1-(1-ethoxycyclopentyl)-2-methylprop-2-en-1-one?
The InChIKey is QVIOEXHXEJAJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-13-11(7-5-6-8-11)10(12)9(2)3/h2,4-8H2,1,3H3.
What are the key properties of 1-(1-ethoxycyclopentyl)-2-methylprop-2-en-1-one?
1-(1-ethoxycyclopentyl)-2-methylprop-2-en-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclopentyl)-2-methylprop-2-en-1-one is sourced from PubChem (CID 116747766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).