1,4-dimethyl(113C)cyclohexene

C8H14 — CID 11018826

IUPAC1,4-dimethyl(113C)cyclohexene
SMILESCC1CC=[13C](C)CC1
InChIInChI=1S/C8H14/c1-7-3-5-8(2)6-4-7/h3,8H,4-6H2,1-2H3/i7+1
InChIKeyKMGDYKOGDOVDCW-CDYZYAPPSA-N
MW111.19 g/mol
LogP2.75
Rot. Bonds

About 1,4-dimethyl(113C)cyclohexene

1,4-dimethyl(113C)cyclohexene (PubChem CID 11018826) has the molecular formula C8H14 and a molecular weight of 111.19 g/mol. Its IUPAC name is 1,4-dimethyl(113C)cyclohexene.

Molecular Properties

Compound Name1,4-dimethyl(113C)cyclohexene
PubChem CID11018826
Molecular FormulaC8H14
Molecular Weight111.19 g/mol
Exact Mass111.11
IUPAC Name1,4-dimethyl(113C)cyclohexene
SMILESCC1CC=[13C](C)CC1
InChIInChI=1S/C8H14/c1-7-3-5-8(2)6-4-7/h3,8H,4-6H2,1-2H3/i7+1
InChIKeyKMGDYKOGDOVDCW-CDYZYAPPSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;methane
CID 142414461
1,4-dimethylcyclodecene
CID 173437289
1,4-dimethylcyclohexene;2,5-dimethyloxane
CID 143612345
1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylcyclohexene
CID 142844577
1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylbenzene
CID 143612352
tris(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2,5-dimethyloxane);molecular hydrogen;hydrate
CID 169425240
bis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2-fluoro-1,4-dimethylcyclohexane);molecular hydrogen;trihydrate
CID 160605414
1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2,5-dimethyl-1,3-dioxane;2,5-dimethyloxane
CID 158486808
1,3-difluoro-2,5-dimethylbenzene;1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylbenzene
CID 156811575
1-fluoro-4-methylcyclohexene
CID 23443585
CID 59269448
CID 59269448
tetrakis(1,4-dimethylcyclohexane);tetrakis(1,4-dimethylcyclohexene);tetrakis(2,5-dimethyloxane);methane;molecular hydrogen;bis(1,4-xylene);yttrium
CID 159607097

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl(113C)cyclohexene?
The IUPAC name of 1,4-dimethyl(113C)cyclohexene (CID 11018826) is 1,4-dimethyl(113C)cyclohexene.
What is the SMILES notation for 1,4-dimethyl(113C)cyclohexene?
The canonical SMILES for 1,4-dimethyl(113C)cyclohexene is CC1CC=[13C](C)CC1.
What is the InChIKey of 1,4-dimethyl(113C)cyclohexene?
The InChIKey is KMGDYKOGDOVDCW-CDYZYAPPSA-N. The full InChI is InChI=1S/C8H14/c1-7-3-5-8(2)6-4-7/h3,8H,4-6H2,1-2H3/i7+1.
What are the key properties of 1,4-dimethyl(113C)cyclohexene?
1,4-dimethyl(113C)cyclohexene has a molecular weight of 111.19 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl(113C)cyclohexene is sourced from PubChem (CID 11018826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).