1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanone

C14H22O2 — CID 103162466

IUPAC1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)C2=CCCCC2)C1
InChIInChI=1S/C14H22O2/c1-2-16-13-8-11(9-13)10-14(15)12-6-4-3-5-7-12/h6,11,13H,2-5,7-10H2,1H3
InChIKeyVUKXRSCJECFZJP-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.26
Rot. Bonds5

About 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanone

1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanone (PubChem CID 103162466) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanone
PubChem CID103162466
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)C2=CCCCC2)C1
InChIInChI=1S/C14H22O2/c1-2-16-13-8-11(9-13)10-14(15)12-6-4-3-5-7-12/h6,11,13H,2-5,7-10H2,1H3
InChIKeyVUKXRSCJECFZJP-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanone?
The IUPAC name of 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanone (CID 103162466) is 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanone.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanone?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanone is CCOC1CC(CC(=O)C2=CCCCC2)C1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanone?
The InChIKey is VUKXRSCJECFZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-2-16-13-8-11(9-13)10-14(15)12-6-4-3-5-7-12/h6,11,13H,2-5,7-10H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanone?
1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanone has a molecular weight of 222.33 g/mol, XLogP of 3.26, 5 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-(3-ethoxycyclobutyl)ethanone is sourced from PubChem (CID 103162466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).