5,5-dimethoxycyclohexa-1,3-diene

C8H12O2 — CID 18445625

IUPAC5,5-dimethoxycyclohexa-1,3-diene
SMILESCOC1(OC)C=CC=CC1
InChIInChI=1S/C8H12O2/c1-9-8(10-2)6-4-3-5-7-8/h3-6H,7H2,1-2H3
InChIKeyKILGIXRNINKGLK-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.49
Rot. Bonds2

About 5,5-dimethoxycyclohexa-1,3-diene

5,5-dimethoxycyclohexa-1,3-diene (PubChem CID 18445625) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 5,5-dimethoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name5,5-dimethoxycyclohexa-1,3-diene
PubChem CID18445625
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name5,5-dimethoxycyclohexa-1,3-diene
SMILESCOC1(OC)C=CC=CC1
InChIInChI=1S/C8H12O2/c1-9-8(10-2)6-4-3-5-7-8/h3-6H,7H2,1-2H3
InChIKeyKILGIXRNINKGLK-UHFFFAOYSA-N
XLogP1.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.49
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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Related Compounds

5,6,6-Trimethoxy-2-prop-2-enylcyclohexa-1,3-diene
CID 163192813
7,7-Dimethoxycyclohepta-1,3,5-triene
CID 12814976
5,5,6,6-Tetramethoxycyclohexa-1,3-diene
CID 12950397
2-(1,1-Dimethoxyethyl)cyclohexa-1,3-diene
CID 70338625
2-(Dimethoxymethyl)cyclohexa-1,3-diene
CID 135045565
1-Fluoro-6,6-dimethoxycyclohexa-1,4-diene
CID 18324285
5-Methoxy-5-(1,2,2-trifluoroethenoxy)cyclohexa-1,3-diene
CID 141376262
7,7-Dimethoxy-1-methylcyclohepta-1,3,5-triene
CID 85612912
1,1,4,4-Trimethoxycyclohexa-2,5-dien
CID 129760296
2-(Trimethoxymethyl)cyclohexa-1,3-diene
CID 135035303
5,5-Dimethoxycyclopenta-1,3-diene
CID 12270138
1-Methoxycyclohexa-2,4-dien-1-ol
CID 18761313

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethoxycyclohexa-1,3-diene?
The IUPAC name of 5,5-dimethoxycyclohexa-1,3-diene (CID 18445625) is 5,5-dimethoxycyclohexa-1,3-diene.
What is the SMILES notation for 5,5-dimethoxycyclohexa-1,3-diene?
The canonical SMILES for 5,5-dimethoxycyclohexa-1,3-diene is COC1(OC)C=CC=CC1.
What is the InChIKey of 5,5-dimethoxycyclohexa-1,3-diene?
The InChIKey is KILGIXRNINKGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-9-8(10-2)6-4-3-5-7-8/h3-6H,7H2,1-2H3.
What are the key properties of 5,5-dimethoxycyclohexa-1,3-diene?
5,5-dimethoxycyclohexa-1,3-diene has a molecular weight of 140.18 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethoxycyclohexa-1,3-diene is sourced from PubChem (CID 18445625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).