1-(cyclohexen-1-yl)-2-ethoxyprop-2-en-1-one

C11H16O2 — CID 24975460

IUPAC1-(cyclohexen-1-yl)-2-ethoxyprop-2-en-1-one
SMILESC=C(OCC)C(=O)C1=CCCCC1
InChIInChI=1S/C11H16O2/c1-3-13-9(2)11(12)10-7-5-4-6-8-10/h7H,2-6,8H2,1H3
InChIKeyJVWGHRGYLVLZHR-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.61
Rot. Bonds4

About 1-(cyclohexen-1-yl)-2-ethoxyprop-2-en-1-one

1-(cyclohexen-1-yl)-2-ethoxyprop-2-en-1-one (PubChem CID 24975460) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-ethoxyprop-2-en-1-one.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-ethoxyprop-2-en-1-one
PubChem CID24975460
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-(cyclohexen-1-yl)-2-ethoxyprop-2-en-1-one
SMILESC=C(OCC)C(=O)C1=CCCCC1
InChIInChI=1S/C11H16O2/c1-3-13-9(2)11(12)10-7-5-4-6-8-10/h7H,2-6,8H2,1H3
InChIKeyJVWGHRGYLVLZHR-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Decylubiquinone
CID 2971
Irisquinone
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Primin
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5-O-Methylembelin
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Sorgoleone
CID 6475682
3(2H)-Furanone, 5-methyl-2-octyl-
CID 529383
3(2H)-Furanone, 2-hexyl-5-methyl-
CID 566912
Pallasone A
CID 5928229
2-Methoxy-6-undecyl-1,4-benzoquinone
CID 44559530
2-Methoxy-6-pentadecylcyclohexa-2,5-diene-1,4-dione
CID 71345494
2-Methoxy-6-tridecyl-1,4-benzoquinone
CID 10087379
Sorgoleone 358
CID 14427830

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-ethoxyprop-2-en-1-one?
The IUPAC name of 1-(cyclohexen-1-yl)-2-ethoxyprop-2-en-1-one (CID 24975460) is 1-(cyclohexen-1-yl)-2-ethoxyprop-2-en-1-one.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-ethoxyprop-2-en-1-one?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-ethoxyprop-2-en-1-one is C=C(OCC)C(=O)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-ethoxyprop-2-en-1-one?
The InChIKey is JVWGHRGYLVLZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-13-9(2)11(12)10-7-5-4-6-8-10/h7H,2-6,8H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-ethoxyprop-2-en-1-one?
1-(cyclohexen-1-yl)-2-ethoxyprop-2-en-1-one has a molecular weight of 180.25 g/mol, XLogP of 2.61, 4 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-ethoxyprop-2-en-1-one is sourced from PubChem (CID 24975460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).