1-(methoxymethoxy)cyclohexa-1,3-diene

C8H12O2 — CID 12777330

IUPAC1-(methoxymethoxy)cyclohexa-1,3-diene
SMILESCOCOC1=CC=CCC1
InChIInChI=1S/C8H12O2/c1-9-7-10-8-5-3-2-4-6-8/h2-3,5H,4,6-7H2,1H3
InChIKeyZIJZPGCMKHIPEG-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.84
Rot. Bonds3

About 1-(methoxymethoxy)cyclohexa-1,3-diene

1-(methoxymethoxy)cyclohexa-1,3-diene (PubChem CID 12777330) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 1-(methoxymethoxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(methoxymethoxy)cyclohexa-1,3-diene
PubChem CID12777330
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name1-(methoxymethoxy)cyclohexa-1,3-diene
SMILESCOCOC1=CC=CCC1
InChIInChI=1S/C8H12O2/c1-9-7-10-8-5-3-2-4-6-8/h2-3,5H,4,6-7H2,1H3
InChIKeyZIJZPGCMKHIPEG-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)cyclohexa-1,3-diene?
The IUPAC name of 1-(methoxymethoxy)cyclohexa-1,3-diene (CID 12777330) is 1-(methoxymethoxy)cyclohexa-1,3-diene.
What is the SMILES notation for 1-(methoxymethoxy)cyclohexa-1,3-diene?
The canonical SMILES for 1-(methoxymethoxy)cyclohexa-1,3-diene is COCOC1=CC=CCC1.
What is the InChIKey of 1-(methoxymethoxy)cyclohexa-1,3-diene?
The InChIKey is ZIJZPGCMKHIPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-9-7-10-8-5-3-2-4-6-8/h2-3,5H,4,6-7H2,1H3.
What are the key properties of 1-(methoxymethoxy)cyclohexa-1,3-diene?
1-(methoxymethoxy)cyclohexa-1,3-diene has a molecular weight of 140.18 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 12777330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).