1-(methoxymethylidene)-4-[(E)-pent-1-enyl]cyclohexane

C13H22O — CID 19739325

IUPAC1-(methoxymethylidene)-4-[(E)-pent-1-enyl]cyclohexane
SMILESCCC/C=C/C1CCC(=COC)CC1
InChIInChI=1S/C13H22O/c1-3-4-5-6-12-7-9-13(10-8-12)11-14-2/h5-6,11-12H,3-4,7-10H2,1-2H3/b6-5+,13-11-
InChIKeyQSJILLMWYCUZRS-YMDBXOBFSA-N
MW194.32 g/mol
LogP4.06
Rot. Bonds4

About 1-(methoxymethylidene)-4-[(E)-pent-1-enyl]cyclohexane

1-(methoxymethylidene)-4-[(E)-pent-1-enyl]cyclohexane (PubChem CID 19739325) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(methoxymethylidene)-4-[(E)-pent-1-enyl]cyclohexane.

Molecular Properties

Compound Name1-(methoxymethylidene)-4-[(E)-pent-1-enyl]cyclohexane
PubChem CID19739325
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name1-(methoxymethylidene)-4-[(E)-pent-1-enyl]cyclohexane
SMILESCCC/C=C/C1CCC(=COC)CC1
InChIInChI=1S/C13H22O/c1-3-4-5-6-12-7-9-13(10-8-12)11-14-2/h5-6,11-12H,3-4,7-10H2,1-2H3/b6-5+,13-11-
InChIKeyQSJILLMWYCUZRS-YMDBXOBFSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethylidene)-4-[(E)-pent-1-enyl]cyclohexane?
The IUPAC name of 1-(methoxymethylidene)-4-[(E)-pent-1-enyl]cyclohexane (CID 19739325) is 1-(methoxymethylidene)-4-[(E)-pent-1-enyl]cyclohexane.
What is the SMILES notation for 1-(methoxymethylidene)-4-[(E)-pent-1-enyl]cyclohexane?
The canonical SMILES for 1-(methoxymethylidene)-4-[(E)-pent-1-enyl]cyclohexane is CCC/C=C/C1CCC(=COC)CC1.
What is the InChIKey of 1-(methoxymethylidene)-4-[(E)-pent-1-enyl]cyclohexane?
The InChIKey is QSJILLMWYCUZRS-YMDBXOBFSA-N. The full InChI is InChI=1S/C13H22O/c1-3-4-5-6-12-7-9-13(10-8-12)11-14-2/h5-6,11-12H,3-4,7-10H2,1-2H3/b6-5+,13-11-.
What are the key properties of 1-(methoxymethylidene)-4-[(E)-pent-1-enyl]cyclohexane?
1-(methoxymethylidene)-4-[(E)-pent-1-enyl]cyclohexane has a molecular weight of 194.32 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethylidene)-4-[(E)-pent-1-enyl]cyclohexane is sourced from PubChem (CID 19739325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).