4,4-diethoxycyclohexene

C10H18O2 — CID 157062589

IUPAC4,4-diethoxycyclohexene
SMILESCCOC1(OCC)CC=CCC1
InChIInChI=1S/C10H18O2/c1-3-11-10(12-4-2)8-6-5-7-9-10/h5-6H,3-4,7-9H2,1-2H3
InChIKeyABMPRISIRKGUOM-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.50
Rot. Bonds4

About 4,4-diethoxycyclohexene

4,4-diethoxycyclohexene (PubChem CID 157062589) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4,4-diethoxycyclohexene.

Molecular Properties

Compound Name4,4-diethoxycyclohexene
PubChem CID157062589
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4,4-diethoxycyclohexene
SMILESCCOC1(OCC)CC=CCC1
InChIInChI=1S/C10H18O2/c1-3-11-10(12-4-2)8-6-5-7-9-10/h5-6H,3-4,7-9H2,1-2H3
InChIKeyABMPRISIRKGUOM-UHFFFAOYSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,1-diethoxycyclopropane;sulfane
CID 175457696
1,1,3,3-tetraethoxycyclohexane
CID 151917056
ethane;spiro[3.5]non-7-ene
CID 144945784
1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane
CID 154120160
1,1,3-triethoxycyclohexane
CID 23298942
4-ethyl-4-propan-2-ylcyclohexene
CID 23385010
(1E,4E)-7-ethyl-7-methylcyclonona-1,4-diene
CID 143371902
1-(3-methylpentan-2-yl)cyclohex-3-en-1-amine
CID 131000668
spiro[4.6]undeca-2,8-diene
CID 123157263
dinonyl cyclohex-3-ene-1,1-dicarboxylate
CID 141184940
4-(4,4-diethoxypiperidin-1-yl)phenol
CID 69481596
4-chloro-4-methylcyclohexene
CID 14144779

Frequently Asked Questions

What is the IUPAC name of 4,4-diethoxycyclohexene?
The IUPAC name of 4,4-diethoxycyclohexene (CID 157062589) is 4,4-diethoxycyclohexene.
What is the SMILES notation for 4,4-diethoxycyclohexene?
The canonical SMILES for 4,4-diethoxycyclohexene is CCOC1(OCC)CC=CCC1.
What is the InChIKey of 4,4-diethoxycyclohexene?
The InChIKey is ABMPRISIRKGUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-11-10(12-4-2)8-6-5-7-9-10/h5-6H,3-4,7-9H2,1-2H3.
What are the key properties of 4,4-diethoxycyclohexene?
4,4-diethoxycyclohexene has a molecular weight of 170.25 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethoxycyclohexene is sourced from PubChem (CID 157062589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).