1-(cyclohexen-1-yl)-2-(oxan-4-yl)ethanone

C13H20O2 — CID 103449976

IUPAC1-(cyclohexen-1-yl)-2-(oxan-4-yl)ethanone
SMILESO=C(CC1CCOCC1)C1=CCCCC1
InChIInChI=1S/C13H20O2/c14-13(12-4-2-1-3-5-12)10-11-6-8-15-9-7-11/h4,11H,1-3,5-10H2
InChIKeyLZVOIHPRPLHNMZ-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.87
Rot. Bonds3

About 1-(cyclohexen-1-yl)-2-(oxan-4-yl)ethanone

1-(cyclohexen-1-yl)-2-(oxan-4-yl)ethanone (PubChem CID 103449976) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-(oxan-4-yl)ethanone
PubChem CID103449976
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(cyclohexen-1-yl)-2-(oxan-4-yl)ethanone
SMILESO=C(CC1CCOCC1)C1=CCCCC1
InChIInChI=1S/C13H20O2/c14-13(12-4-2-1-3-5-12)10-11-6-8-15-9-7-11/h4,11H,1-3,5-10H2
InChIKeyLZVOIHPRPLHNMZ-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-(cycloocten-1-yl)ethanone
CID 106655870
1-(4-methylcyclohexen-1-yl)-2-(oxan-4-yl)ethanone
CID 103451153
1-(cycloocten-1-yl)-2-piperidin-3-ylethanone
CID 106655260
2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone
CID 103168064
1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103162468
2-(cyclohexen-1-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62387139
cyclohepten-1-yl-(4-ethoxyoxan-4-yl)methanone
CID 106652265
cyclohexen-1-yl(oxan-3-yl)methanone
CID 63011735
3-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655124
ethyl (6Z)-1-oxacyclopentadec-6-ene-7-carboxylate
CID 102299212
3-cyclohexyl-1-(cyclopenten-1-yl)propan-1-one
CID 62078476
1-(cyclohepten-1-yl)-3-piperidin-3-ylpropan-1-one
CID 106655243

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-(cyclohexen-1-yl)-2-(oxan-4-yl)ethanone (CID 103449976) is 1-(cyclohexen-1-yl)-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-(oxan-4-yl)ethanone is O=C(CC1CCOCC1)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-(oxan-4-yl)ethanone?
The InChIKey is LZVOIHPRPLHNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c14-13(12-4-2-1-3-5-12)10-11-6-8-15-9-7-11/h4,11H,1-3,5-10H2.
What are the key properties of 1-(cyclohexen-1-yl)-2-(oxan-4-yl)ethanone?
1-(cyclohexen-1-yl)-2-(oxan-4-yl)ethanone has a molecular weight of 208.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 103449976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).