4-(methoxymethyl)cyclohexene

C8H14O — CID 22507470

IUPAC4-(methoxymethyl)cyclohexene
SMILESCOCC1CC=CCC1
InChIInChI=1S/C8H14O/c1-9-7-8-5-3-2-4-6-8/h2-3,8H,4-7H2,1H3
InChIKeyBFEFPVJJJCFYPU-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds2

About 4-(methoxymethyl)cyclohexene

4-(methoxymethyl)cyclohexene (PubChem CID 22507470) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 4-(methoxymethyl)cyclohexene.

Molecular Properties

Compound Name4-(methoxymethyl)cyclohexene
PubChem CID22507470
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name4-(methoxymethyl)cyclohexene
SMILESCOCC1CC=CCC1
InChIInChI=1S/C8H14O/c1-9-7-8-5-3-2-4-6-8/h2-3,8H,4-7H2,1H3
InChIKeyBFEFPVJJJCFYPU-UHFFFAOYSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-(methoxymethyl)cyclohexene?
The IUPAC name of 4-(methoxymethyl)cyclohexene (CID 22507470) is 4-(methoxymethyl)cyclohexene.
What is the SMILES notation for 4-(methoxymethyl)cyclohexene?
The canonical SMILES for 4-(methoxymethyl)cyclohexene is COCC1CC=CCC1.
What is the InChIKey of 4-(methoxymethyl)cyclohexene?
The InChIKey is BFEFPVJJJCFYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-9-7-8-5-3-2-4-6-8/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-(methoxymethyl)cyclohexene?
4-(methoxymethyl)cyclohexene has a molecular weight of 126.20 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)cyclohexene is sourced from PubChem (CID 22507470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).