[(E)-2,4-dimethylhex-3-en-2-yl]cyclohexane

C14H26 — CID 173398272

IUPAC[(E)-2,4-dimethylhex-3-en-2-yl]cyclohexane
SMILESCC/C(C)=C/C(C)(C)C1CCCCC1
InChIInChI=1S/C14H26/c1-5-12(2)11-14(3,4)13-9-7-6-8-10-13/h11,13H,5-10H2,1-4H3/b12-11+
InChIKeyIDCYGKXWBYMOJP-VAWYXSNFSA-N
MW194.36 g/mol
LogP4.95
Rot. Bonds3

About [(E)-2,4-dimethylhex-3-en-2-yl]cyclohexane

[(E)-2,4-dimethylhex-3-en-2-yl]cyclohexane (PubChem CID 173398272) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is [(E)-2,4-dimethylhex-3-en-2-yl]cyclohexane.

Molecular Properties

Compound Name[(E)-2,4-dimethylhex-3-en-2-yl]cyclohexane
PubChem CID173398272
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name[(E)-2,4-dimethylhex-3-en-2-yl]cyclohexane
SMILESCC/C(C)=C/C(C)(C)C1CCCCC1
InChIInChI=1S/C14H26/c1-5-12(2)11-14(3,4)13-9-7-6-8-10-13/h11,13H,5-10H2,1-4H3/b12-11+
InChIKeyIDCYGKXWBYMOJP-VAWYXSNFSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.95
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

N-[(Z)-4-cyclohexyl-4-methylpent-2-en-2-yl]hydroxylamine
CID 2447650
2-cyclohexylbutan-2-ol
CID 14023764
3-methylpentan-3-ylcycloundecane
CID 123467319
2,3-dicyclohexylbutane-2,3-diol
CID 50741678
2-cyclononadecylpropan-2-ol
CID 126587376
1-cyclooctylethane-1,1-diol
CID 22410754
2-cyclooctylpropan-2-ol
CID 27966
2-cyclohexylpentan-2-ol
CID 75245103
2-cycloheptyl-2-methylpropan-1-ol
CID 82936558
tert-butylcyclopentadecane
CID 164774831
1,1-di(cyclododecyl)propylcyclododecane
CID 91064013
3-cyclopentylpentan-3-ylcyclohexane
CID 91156849

Frequently Asked Questions

What is the IUPAC name of [(E)-2,4-dimethylhex-3-en-2-yl]cyclohexane?
The IUPAC name of [(E)-2,4-dimethylhex-3-en-2-yl]cyclohexane (CID 173398272) is [(E)-2,4-dimethylhex-3-en-2-yl]cyclohexane.
What is the SMILES notation for [(E)-2,4-dimethylhex-3-en-2-yl]cyclohexane?
The canonical SMILES for [(E)-2,4-dimethylhex-3-en-2-yl]cyclohexane is CC/C(C)=C/C(C)(C)C1CCCCC1.
What is the InChIKey of [(E)-2,4-dimethylhex-3-en-2-yl]cyclohexane?
The InChIKey is IDCYGKXWBYMOJP-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H26/c1-5-12(2)11-14(3,4)13-9-7-6-8-10-13/h11,13H,5-10H2,1-4H3/b12-11+.
What are the key properties of [(E)-2,4-dimethylhex-3-en-2-yl]cyclohexane?
[(E)-2,4-dimethylhex-3-en-2-yl]cyclohexane has a molecular weight of 194.36 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2,4-dimethylhex-3-en-2-yl]cyclohexane is sourced from PubChem (CID 173398272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).