cyclohexa-1,3-diene;cyclohexene;methane;propane

C26H58 — CID 159665074

IUPACcyclohexa-1,3-diene;cyclohexene;methane;propane
SMILESC.C.C1=CCCC=C1.C1=CCCCC1.CCC.CCC.CCC.CCC
InChIInChI=1S/C6H10.C6H8.4C3H8.2CH4/c2*1-2-4-6-5-3-1;4*1-3-2;;/h1-2H,3-6H2;1-4H,5-6H2;4*3H2,1-2H3;2*1H4
InChIKeyMTHLWXJSAKYYRW-UHFFFAOYSA-N
MW370.75 g/mol
LogP10.95
Rot. Bonds

About cyclohexa-1,3-diene;cyclohexene;methane;propane

cyclohexa-1,3-diene;cyclohexene;methane;propane (PubChem CID 159665074) has the molecular formula C26H58 and a molecular weight of 370.75 g/mol. Its IUPAC name is cyclohexa-1,3-diene;cyclohexene;methane;propane.

Molecular Properties

Compound Namecyclohexa-1,3-diene;cyclohexene;methane;propane
PubChem CID159665074
Molecular FormulaC26H58
Molecular Weight370.75 g/mol
Exact Mass370.45
IUPAC Namecyclohexa-1,3-diene;cyclohexene;methane;propane
SMILESC.C.C1=CCCC=C1.C1=CCCCC1.CCC.CCC.CCC.CCC
InChIInChI=1S/C6H10.C6H8.4C3H8.2CH4/c2*1-2-4-6-5-3-1;4*1-3-2;;/h1-2H,3-6H2;1-4H,5-6H2;4*3H2,1-2H3;2*1H4
InChIKeyMTHLWXJSAKYYRW-UHFFFAOYSA-N
XLogP10.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.75
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-diene;cyclohexene;methane;propane?
The IUPAC name of cyclohexa-1,3-diene;cyclohexene;methane;propane (CID 159665074) is cyclohexa-1,3-diene;cyclohexene;methane;propane.
What is the SMILES notation for cyclohexa-1,3-diene;cyclohexene;methane;propane?
The canonical SMILES for cyclohexa-1,3-diene;cyclohexene;methane;propane is C.C.C1=CCCC=C1.C1=CCCCC1.CCC.CCC.CCC.CCC.
What is the InChIKey of cyclohexa-1,3-diene;cyclohexene;methane;propane?
The InChIKey is MTHLWXJSAKYYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.C6H8.4C3H8.2CH4/c2*1-2-4-6-5-3-1;4*1-3-2;;/h1-2H,3-6H2;1-4H,5-6H2;4*3H2,1-2H3;2*1H4.
What are the key properties of cyclohexa-1,3-diene;cyclohexene;methane;propane?
cyclohexa-1,3-diene;cyclohexene;methane;propane has a molecular weight of 370.75 g/mol, XLogP of 10.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-diene;cyclohexene;methane;propane is sourced from PubChem (CID 159665074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).