1-ethoxy-4-(methoxymethylidene)cyclohexane

C10H18O2 — CID 118366710

IUPAC1-ethoxy-4-(methoxymethylidene)cyclohexane
SMILESCCOC1CCC(=COC)CC1
InChIInChI=1S/C10H18O2/c1-3-12-10-6-4-9(5-7-10)8-11-2/h8,10H,3-7H2,1-2H3/b9-8-
InChIKeyPOAOREUMPGXJPB-HJWRWDBZSA-N
MW170.25 g/mol
LogP2.50
Rot. Bonds3

About 1-ethoxy-4-(methoxymethylidene)cyclohexane

1-ethoxy-4-(methoxymethylidene)cyclohexane (PubChem CID 118366710) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-ethoxy-4-(methoxymethylidene)cyclohexane.

Molecular Properties

Compound Name1-ethoxy-4-(methoxymethylidene)cyclohexane
PubChem CID118366710
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-ethoxy-4-(methoxymethylidene)cyclohexane
SMILESCCOC1CCC(=COC)CC1
InChIInChI=1S/C10H18O2/c1-3-12-10-6-4-9(5-7-10)8-11-2/h8,10H,3-7H2,1-2H3/b9-8-
InChIKeyPOAOREUMPGXJPB-HJWRWDBZSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Cyclohexanol, 1-methoxy-3-methylene-, (+-)-
CID 145304
1-Ethoxy-2-fluoro-4-methylidenecyclohexane
CID 91248539
2-Fluoro-1-(2-methoxyethoxy)-4-methylidenecyclohexane
CID 91444583
1-(3-Methoxypropoxy)-3-methylidenecyclohexane
CID 91235286
2-Methyl-5-pentyl-3,4-dihydro-2h-pyran
CID 129776342
1-Ethoxy-2-methylidenecyclohexane
CID 13740583
1-Methoxy-4-methylidenecyclohexane
CID 13808286
2,5-diethyl-3,4-dihydro-2H-pyran
CID 17994139
2-Methylprop-1-enoxycyclohexane
CID 20487853
3-Methylbut-3-enoxycyclohexane
CID 21270362
2-Methylhex-1-enoxycyclohexane
CID 57200948
2-Ethylhex-1-enoxycyclohexane
CID 57222127

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-(methoxymethylidene)cyclohexane?
The IUPAC name of 1-ethoxy-4-(methoxymethylidene)cyclohexane (CID 118366710) is 1-ethoxy-4-(methoxymethylidene)cyclohexane.
What is the SMILES notation for 1-ethoxy-4-(methoxymethylidene)cyclohexane?
The canonical SMILES for 1-ethoxy-4-(methoxymethylidene)cyclohexane is CCOC1CCC(=COC)CC1.
What is the InChIKey of 1-ethoxy-4-(methoxymethylidene)cyclohexane?
The InChIKey is POAOREUMPGXJPB-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-12-10-6-4-9(5-7-10)8-11-2/h8,10H,3-7H2,1-2H3/b9-8-.
What are the key properties of 1-ethoxy-4-(methoxymethylidene)cyclohexane?
1-ethoxy-4-(methoxymethylidene)cyclohexane has a molecular weight of 170.25 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-(methoxymethylidene)cyclohexane is sourced from PubChem (CID 118366710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).