1,4-dimethylcyclohexene;2,5-dimethyloxane

C15H28O — CID 143612345

IUPAC1,4-dimethylcyclohexene;2,5-dimethyloxane
SMILESCC1=CCC(C)CC1.CC1CCC(C)OC1
InChIInChI=1S/C8H14.C7H14O/c1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6/h3,8H,4-6H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyBFBPGHBCXXEOLW-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.57
Rot. Bonds

About 1,4-dimethylcyclohexene;2,5-dimethyloxane

1,4-dimethylcyclohexene;2,5-dimethyloxane (PubChem CID 143612345) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 1,4-dimethylcyclohexene;2,5-dimethyloxane.

Molecular Properties

Compound Name1,4-dimethylcyclohexene;2,5-dimethyloxane
PubChem CID143612345
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name1,4-dimethylcyclohexene;2,5-dimethyloxane
SMILESCC1=CCC(C)CC1.CC1CCC(C)OC1
InChIInChI=1S/C8H14.C7H14O/c1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6/h3,8H,4-6H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyBFBPGHBCXXEOLW-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-dimethylcyclohexene;2,5-dimethyloxane?
The IUPAC name of 1,4-dimethylcyclohexene;2,5-dimethyloxane (CID 143612345) is 1,4-dimethylcyclohexene;2,5-dimethyloxane.
What is the SMILES notation for 1,4-dimethylcyclohexene;2,5-dimethyloxane?
The canonical SMILES for 1,4-dimethylcyclohexene;2,5-dimethyloxane is CC1=CCC(C)CC1.CC1CCC(C)OC1.
What is the InChIKey of 1,4-dimethylcyclohexene;2,5-dimethyloxane?
The InChIKey is BFBPGHBCXXEOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.C7H14O/c1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)8-5-6/h3,8H,4-6H2,1-2H3;6-7H,3-5H2,1-2H3.
What are the key properties of 1,4-dimethylcyclohexene;2,5-dimethyloxane?
1,4-dimethylcyclohexene;2,5-dimethyloxane has a molecular weight of 224.39 g/mol, XLogP of 4.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclohexene;2,5-dimethyloxane is sourced from PubChem (CID 143612345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).