4,5-dimethoxy-4,5-dimethylcyclohexene

C10H18O2 — CID 72755603

IUPAC4,5-dimethoxy-4,5-dimethylcyclohexene
SMILESCOC1(C)CC=CCC1(C)OC
InChIInChI=1S/C10H18O2/c1-9(11-3)7-5-6-8-10(9,2)12-4/h5-6H,7-8H2,1-4H3
InChIKeyHCZJUVSMCZFUFW-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.15
Rot. Bonds2

About 4,5-dimethoxy-4,5-dimethylcyclohexene

4,5-dimethoxy-4,5-dimethylcyclohexene (PubChem CID 72755603) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4,5-dimethoxy-4,5-dimethylcyclohexene.

Molecular Properties

Compound Name4,5-dimethoxy-4,5-dimethylcyclohexene
PubChem CID72755603
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4,5-dimethoxy-4,5-dimethylcyclohexene
SMILESCOC1(C)CC=CCC1(C)OC
InChIInChI=1S/C10H18O2/c1-9(11-3)7-5-6-8-10(9,2)12-4/h5-6H,7-8H2,1-4H3
InChIKeyHCZJUVSMCZFUFW-UHFFFAOYSA-N
XLogP2.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.15
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 4,5-dimethoxy-4,5-dimethylcyclohexene?
The IUPAC name of 4,5-dimethoxy-4,5-dimethylcyclohexene (CID 72755603) is 4,5-dimethoxy-4,5-dimethylcyclohexene.
What is the SMILES notation for 4,5-dimethoxy-4,5-dimethylcyclohexene?
The canonical SMILES for 4,5-dimethoxy-4,5-dimethylcyclohexene is COC1(C)CC=CCC1(C)OC.
What is the InChIKey of 4,5-dimethoxy-4,5-dimethylcyclohexene?
The InChIKey is HCZJUVSMCZFUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(11-3)7-5-6-8-10(9,2)12-4/h5-6H,7-8H2,1-4H3.
What are the key properties of 4,5-dimethoxy-4,5-dimethylcyclohexene?
4,5-dimethoxy-4,5-dimethylcyclohexene has a molecular weight of 170.25 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-4,5-dimethylcyclohexene is sourced from PubChem (CID 72755603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).