3-ethoxycyclohexene;1-methoxycyclohexene

C15H26O2 — CID 70564731

IUPAC3-ethoxycyclohexene;1-methoxycyclohexene
SMILESCCOC1C=CCCC1.COC1=CCCCC1
InChIInChI=1S/C8H14O.C7H12O/c1-2-9-8-6-4-3-5-7-8;1-8-7-5-3-2-4-6-7/h4,6,8H,2-3,5,7H2,1H3;5H,2-4,6H2,1H3
InChIKeyMGVQDYRHWOILST-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.22
Rot. Bonds3

About 3-ethoxycyclohexene;1-methoxycyclohexene

3-ethoxycyclohexene;1-methoxycyclohexene (PubChem CID 70564731) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-ethoxycyclohexene;1-methoxycyclohexene.

Molecular Properties

Compound Name3-ethoxycyclohexene;1-methoxycyclohexene
PubChem CID70564731
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name3-ethoxycyclohexene;1-methoxycyclohexene
SMILESCCOC1C=CCCC1.COC1=CCCCC1
InChIInChI=1S/C8H14O.C7H12O/c1-2-9-8-6-4-3-5-7-8;1-8-7-5-3-2-4-6-7/h4,6,8H,2-3,5,7H2,1H3;5H,2-4,6H2,1H3
InChIKeyMGVQDYRHWOILST-UHFFFAOYSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.22
H-Bond Donors ≤ 50
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 3-ethoxycyclohexene;1-methoxycyclohexene?
The IUPAC name of 3-ethoxycyclohexene;1-methoxycyclohexene (CID 70564731) is 3-ethoxycyclohexene;1-methoxycyclohexene.
What is the SMILES notation for 3-ethoxycyclohexene;1-methoxycyclohexene?
The canonical SMILES for 3-ethoxycyclohexene;1-methoxycyclohexene is CCOC1C=CCCC1.COC1=CCCCC1.
What is the InChIKey of 3-ethoxycyclohexene;1-methoxycyclohexene?
The InChIKey is MGVQDYRHWOILST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O.C7H12O/c1-2-9-8-6-4-3-5-7-8;1-8-7-5-3-2-4-6-7/h4,6,8H,2-3,5,7H2,1H3;5H,2-4,6H2,1H3.
What are the key properties of 3-ethoxycyclohexene;1-methoxycyclohexene?
3-ethoxycyclohexene;1-methoxycyclohexene has a molecular weight of 238.37 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxycyclohexene;1-methoxycyclohexene is sourced from PubChem (CID 70564731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).