4,4-bis(methoxymethyl)cyclohexene

C10H18O2 — CID 58930746

IUPAC4,4-bis(methoxymethyl)cyclohexene
SMILESCOCC1(COC)CC=CCC1
InChIInChI=1S/C10H18O2/c1-11-8-10(9-12-2)6-4-3-5-7-10/h3-4H,5-9H2,1-2H3
InChIKeyRPEIIQCHSZVERB-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.01
Rot. Bonds4

About 4,4-bis(methoxymethyl)cyclohexene

4,4-bis(methoxymethyl)cyclohexene (PubChem CID 58930746) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4,4-bis(methoxymethyl)cyclohexene.

Molecular Properties

Compound Name4,4-bis(methoxymethyl)cyclohexene
PubChem CID58930746
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4,4-bis(methoxymethyl)cyclohexene
SMILESCOCC1(COC)CC=CCC1
InChIInChI=1S/C10H18O2/c1-11-8-10(9-12-2)6-4-3-5-7-10/h3-4H,5-9H2,1-2H3
InChIKeyRPEIIQCHSZVERB-UHFFFAOYSA-N
XLogP2.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-3-cyclohexene-1,1-dimethanol
CID 138997
4-(Methoxymethyl)cyclohexene
CID 22507470
4-(Ethoxymethyl)cyclohexene
CID 85982053
4,4-Bis(vinyloxymethyl)cyclohexene
CID 89106982
4-(2-Fluorobutyl)-4-(methoxymethyl)cyclohexene
CID 168880982
3-Ethenyl-5,5-bis(methoxymethyl)-1-methylcyclohexene
CID 135008981
5-Ethenyl-3,3-bis(methoxymethyl)-1-methylcyclohexene
CID 135060488
5,5-Bis(methoxymethyl)-7-methylocta-1,2,7-triene
CID 135079904
[1-(Hydroxymethyl)-2,6-dimethylcyclohex-3-en-1-yl]methanol
CID 18761711
[6-Ethyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
CID 18761712
[1-(Hydroxymethyl)-5,6-dimethylcyclohex-3-en-1-yl]methanol
CID 18761721
3,3-Dibutyl-2,4-dioxa-3-stannaspiro[5.5]undec-8-ene
CID 18766957

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(methoxymethyl)cyclohexene?
The IUPAC name of 4,4-bis(methoxymethyl)cyclohexene (CID 58930746) is 4,4-bis(methoxymethyl)cyclohexene.
What is the SMILES notation for 4,4-bis(methoxymethyl)cyclohexene?
The canonical SMILES for 4,4-bis(methoxymethyl)cyclohexene is COCC1(COC)CC=CCC1.
What is the InChIKey of 4,4-bis(methoxymethyl)cyclohexene?
The InChIKey is RPEIIQCHSZVERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-11-8-10(9-12-2)6-4-3-5-7-10/h3-4H,5-9H2,1-2H3.
What are the key properties of 4,4-bis(methoxymethyl)cyclohexene?
4,4-bis(methoxymethyl)cyclohexene has a molecular weight of 170.25 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(methoxymethyl)cyclohexene is sourced from PubChem (CID 58930746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).