2-Propanone, 1-(1-cyclohexen-1-yl)-3-ethoxy-

C11H18O2 — CID 316619

IUPAC1-(cyclohexen-1-yl)-3-ethoxypropan-2-one
SMILESCCOCC(=O)CC1=CCCCC1
InChIInChI=1S/C11H18O2/c1-2-13-9-11(12)8-10-6-4-3-5-7-10/h6H,2-5,7-9H2,1H3
InChIKeyDMBFWWMYLQDOSA-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.90
Rot. Bonds5

About 2-Propanone, 1-(1-cyclohexen-1-yl)-3-ethoxy-

2-Propanone, 1-(1-cyclohexen-1-yl)-3-ethoxy- (PubChem CID 316619) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-ethoxypropan-2-one.

Molecular Properties

Compound Name2-Propanone, 1-(1-cyclohexen-1-yl)-3-ethoxy-
PubChem CID316619
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-(cyclohexen-1-yl)-3-ethoxypropan-2-one
SMILESCCOCC(=O)CC1=CCCCC1
InChIInChI=1S/C11H18O2/c1-2-13-9-11(12)8-10-6-4-3-5-7-10/h6H,2-5,7-9H2,1H3
InChIKeyDMBFWWMYLQDOSA-UHFFFAOYSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity194

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Primin
CID 84800
2-Methoxy-6-undecyl-1,4-benzoquinone
CID 44559530
2,5-Cyclohexadiene-1,4-dione, 2-heptyl-6-methoxy-
CID 183882
2-Decyl-6-methoxycyclohexa-2,5-diene-1,4-dione
CID 10084963
2-Methoxy-6-nonyl-1,4-benzoquinone
CID 131309
3-Cyclohex-1-Enyl-Propionic Acid Ethyl Ester
CID 10726120
6-Dodecyl-2-methoxy-1,4-benzoquinone
CID 193384
[2-(Cyclohexen-1-yl)-2-oxoethyl] acetate
CID 12431603
1-(6-butyl-3,4-dihydro-2H-pyran-2-yl)pentan-1-one
CID 52951284
(Cyclohex-1-en-1-yl)(3,4-dihydro-2H-pyran-6-yl)methanone
CID 16115537
Ethyl 4-(1-cyclohexen-1-yl)butanoate
CID 12673958
3,7-Dimethyl-6-octenyl (cyclohexyl)oxoacetate
CID 12965188

Frequently Asked Questions

What is the IUPAC name of 2-Propanone, 1-(1-cyclohexen-1-yl)-3-ethoxy-?
The IUPAC name of 2-Propanone, 1-(1-cyclohexen-1-yl)-3-ethoxy- (CID 316619) is 1-(cyclohexen-1-yl)-3-ethoxypropan-2-one.
What is the SMILES notation for 2-Propanone, 1-(1-cyclohexen-1-yl)-3-ethoxy-?
The canonical SMILES for 2-Propanone, 1-(1-cyclohexen-1-yl)-3-ethoxy- is CCOCC(=O)CC1=CCCCC1.
What is the InChIKey of 2-Propanone, 1-(1-cyclohexen-1-yl)-3-ethoxy-?
The InChIKey is DMBFWWMYLQDOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-13-9-11(12)8-10-6-4-3-5-7-10/h6H,2-5,7-9H2,1H3.
What are the key properties of 2-Propanone, 1-(1-cyclohexen-1-yl)-3-ethoxy-?
2-Propanone, 1-(1-cyclohexen-1-yl)-3-ethoxy- has a molecular weight of 182.26 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Propanone, 1-(1-cyclohexen-1-yl)-3-ethoxy- is sourced from PubChem (CID 316619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).