1,4-bis(methoxymethyl)cyclohexene

C10H18O2 — CID 138471065

IUPAC1,4-bis(methoxymethyl)cyclohexene
SMILESCOCC1=CCC(COC)CC1
InChIInChI=1S/C10H18O2/c1-11-7-9-3-5-10(6-4-9)8-12-2/h3,10H,4-8H2,1-2H3
InChIKeyAYBXSCHPWXIPCR-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.01
Rot. Bonds4

About 1,4-bis(methoxymethyl)cyclohexene

1,4-bis(methoxymethyl)cyclohexene (PubChem CID 138471065) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1,4-bis(methoxymethyl)cyclohexene.

Molecular Properties

Compound Name1,4-bis(methoxymethyl)cyclohexene
PubChem CID138471065
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1,4-bis(methoxymethyl)cyclohexene
SMILESCOCC1=CCC(COC)CC1
InChIInChI=1S/C10H18O2/c1-11-7-9-3-5-10(6-4-9)8-12-2/h3,10H,4-8H2,1-2H3
InChIKeyAYBXSCHPWXIPCR-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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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(methoxymethyl)cyclohexene?
The IUPAC name of 1,4-bis(methoxymethyl)cyclohexene (CID 138471065) is 1,4-bis(methoxymethyl)cyclohexene.
What is the SMILES notation for 1,4-bis(methoxymethyl)cyclohexene?
The canonical SMILES for 1,4-bis(methoxymethyl)cyclohexene is COCC1=CCC(COC)CC1.
What is the InChIKey of 1,4-bis(methoxymethyl)cyclohexene?
The InChIKey is AYBXSCHPWXIPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-11-7-9-3-5-10(6-4-9)8-12-2/h3,10H,4-8H2,1-2H3.
What are the key properties of 1,4-bis(methoxymethyl)cyclohexene?
1,4-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 1,4-bis(methoxymethyl)cyclohexene is sourced from PubChem (CID 138471065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).