1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;methane

C26H52 — CID 142414461

IUPAC1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;methane
SMILESC.C.CC1=CCC(C)CC1.CC1C=CC(C)CC1.CC1CCC(C)CC1
InChIInChI=1S/C8H16.2C8H14.2CH4/c3*1-7-3-5-8(2)6-4-7;;/h7-8H,3-6H2,1-2H3;3,8H,4-6H2,1-2H3;3,5,7-8H,4,6H2,1-2H3;2*1H4
InChIKeyBJDFAYUJAJGSGB-UHFFFAOYSA-N
MW364.70 g/mol
LogP9.47
Rot. Bonds

About 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;methane

1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;methane (PubChem CID 142414461) has the molecular formula C26H52 and a molecular weight of 364.70 g/mol. Its IUPAC name is 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;methane.

Molecular Properties

Compound Name1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;methane
PubChem CID142414461
Molecular FormulaC26H52
Molecular Weight364.70 g/mol
Exact Mass364.41
IUPAC Name1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;methane
SMILESC.C.CC1=CCC(C)CC1.CC1C=CC(C)CC1.CC1CCC(C)CC1
InChIInChI=1S/C8H16.2C8H14.2CH4/c3*1-7-3-5-8(2)6-4-7;;/h7-8H,3-6H2,1-2H3;3,8H,4-6H2,1-2H3;3,5,7-8H,4,6H2,1-2H3;2*1H4
InChIKeyBJDFAYUJAJGSGB-UHFFFAOYSA-N
XLogP9.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.70
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;methane?
The IUPAC name of 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;methane (CID 142414461) is 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;methane.
What is the SMILES notation for 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;methane?
The canonical SMILES for 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;methane is C.C.CC1=CCC(C)CC1.CC1C=CC(C)CC1.CC1CCC(C)CC1.
What is the InChIKey of 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;methane?
The InChIKey is BJDFAYUJAJGSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.2C8H14.2CH4/c3*1-7-3-5-8(2)6-4-7;;/h7-8H,3-6H2,1-2H3;3,8H,4-6H2,1-2H3;3,5,7-8H,4,6H2,1-2H3;2*1H4.
What are the key properties of 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;methane?
1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;methane has a molecular weight of 364.70 g/mol, XLogP of 9.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;methane is sourced from PubChem (CID 142414461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).