1-(diethoxymethyl)cyclohexene

C11H20O2 — CID 12540973

IUPAC1-(diethoxymethyl)cyclohexene
SMILESCCOC(OCC)C1=CCCCC1
InChIInChI=1S/C11H20O2/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h8,11H,3-7,9H2,1-2H3
InChIKeyOMPCPTLXEPZMBY-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.89
Rot. Bonds5

About 1-(diethoxymethyl)cyclohexene

1-(diethoxymethyl)cyclohexene (PubChem CID 12540973) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(diethoxymethyl)cyclohexene.

Molecular Properties

Compound Name1-(diethoxymethyl)cyclohexene
PubChem CID12540973
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(diethoxymethyl)cyclohexene
SMILESCCOC(OCC)C1=CCCCC1
InChIInChI=1S/C11H20O2/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h8,11H,3-7,9H2,1-2H3
InChIKeyOMPCPTLXEPZMBY-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.89
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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Frequently Asked Questions

What is the IUPAC name of 1-(diethoxymethyl)cyclohexene?
The IUPAC name of 1-(diethoxymethyl)cyclohexene (CID 12540973) is 1-(diethoxymethyl)cyclohexene.
What is the SMILES notation for 1-(diethoxymethyl)cyclohexene?
The canonical SMILES for 1-(diethoxymethyl)cyclohexene is CCOC(OCC)C1=CCCCC1.
What is the InChIKey of 1-(diethoxymethyl)cyclohexene?
The InChIKey is OMPCPTLXEPZMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h8,11H,3-7,9H2,1-2H3.
What are the key properties of 1-(diethoxymethyl)cyclohexene?
1-(diethoxymethyl)cyclohexene has a molecular weight of 184.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethoxymethyl)cyclohexene is sourced from PubChem (CID 12540973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).