1-(cyclohexen-1-yl)ethanone;propane

C11H20O — CID 142317492

IUPAC1-(cyclohexen-1-yl)ethanone;propane
SMILESCC(=O)C1=CCCCC1.CCC
InChIInChI=1S/C8H12O.C3H8/c1-7(9)8-5-3-2-4-6-8;1-3-2/h5H,2-4,6H2,1H3;3H2,1-2H3
InChIKeyDOBRBMGGJDVXIB-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.49
Rot. Bonds1

About 1-(cyclohexen-1-yl)ethanone;propane

1-(cyclohexen-1-yl)ethanone;propane (PubChem CID 142317492) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)ethanone;propane.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)ethanone;propane
PubChem CID142317492
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-(cyclohexen-1-yl)ethanone;propane
SMILESCC(=O)C1=CCCCC1.CCC
InChIInChI=1S/C8H12O.C3H8/c1-7(9)8-5-3-2-4-6-8;1-3-2/h5H,2-4,6H2,1H3;3H2,1-2H3
InChIKeyDOBRBMGGJDVXIB-UHFFFAOYSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclohexen-1-yl)propane-1,2-dione
CID 68719323
ethyl cycloundecene-1-carboxylate
CID 154164177
methyl cyclododecene-1-carboxylate
CID 54564642
N,N-dimethylcyclohexene-1-carboxamide
CID 11019067
ethyl 2-(cyclohepten-1-yl)-2-oxoacetate
CID 14387210
1-(cycloocten-1-yl)-2-ethoxyethanone
CID 106651939
1-(cyclohexen-1-yl)-3-methylpentan-1-one
CID 114874040
(E)-1-(cyclohexen-1-yl)hex-2-en-1-one
CID 134964735
1-(cyclopenten-1-yl)ethanone;3-[(dimethylamino)methyl]but-3-en-2-one;ethane
CID 177013012
1-(cycloocten-1-yl)-2-methoxypentan-1-one
CID 106652220
cyclohexen-1-yl(diethoxyphosphoryl)methanone
CID 13278398
cycloheptene-1-carboxamide
CID 22261654

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)ethanone;propane?
The IUPAC name of 1-(cyclohexen-1-yl)ethanone;propane (CID 142317492) is 1-(cyclohexen-1-yl)ethanone;propane.
What is the SMILES notation for 1-(cyclohexen-1-yl)ethanone;propane?
The canonical SMILES for 1-(cyclohexen-1-yl)ethanone;propane is CC(=O)C1=CCCCC1.CCC.
What is the InChIKey of 1-(cyclohexen-1-yl)ethanone;propane?
The InChIKey is DOBRBMGGJDVXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O.C3H8/c1-7(9)8-5-3-2-4-6-8;1-3-2/h5H,2-4,6H2,1H3;3H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)ethanone;propane?
1-(cyclohexen-1-yl)ethanone;propane has a molecular weight of 168.28 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)ethanone;propane is sourced from PubChem (CID 142317492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).