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

C14H24O2 — CID 103165437

IUPAC1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanol
SMILESCCOC1CC(CC(O)C2=CCCCC2)C1
InChIInChI=1S/C14H24O2/c1-2-16-13-8-11(9-13)10-14(15)12-6-4-3-5-7-12/h6,11,13-15H,2-5,7-10H2,1H3
InChIKeyCBOJZLGOQCGGSS-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.05
Rot. Bonds5

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

1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanol (PubChem CID 103165437) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanol
PubChem CID103165437
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanol
SMILESCCOC1CC(CC(O)C2=CCCCC2)C1
InChIInChI=1S/C14H24O2/c1-2-16-13-8-11(9-13)10-14(15)12-6-4-3-5-7-12/h6,11,13-15H,2-5,7-10H2,1H3
InChIKeyCBOJZLGOQCGGSS-UHFFFAOYSA-N
XLogP3.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanol?
The IUPAC name of 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanol (CID 103165437) is 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanol.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanol?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanol is CCOC1CC(CC(O)C2=CCCCC2)C1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanol?
The InChIKey is CBOJZLGOQCGGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-16-13-8-11(9-13)10-14(15)12-6-4-3-5-7-12/h6,11,13-15H,2-5,7-10H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanol?
1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanol has a molecular weight of 224.34 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanol is sourced from PubChem (CID 103165437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).