methane;2,3,7,8-tetramethylnona-2,7-diene

C21H56 — CID 159020428

IUPACmethane;2,3,7,8-tetramethylnona-2,7-diene
SMILESC.C.C.C.C.C.C.C.CC(C)=C(C)CCCC(C)=C(C)C
InChIInChI=1S/C13H24.8CH4/c1-10(2)12(5)8-7-9-13(6)11(3)4;;;;;;;;/h7-9H2,1-6H3;8*1H4
InChIKeyJTPUMGXXZDOXDY-UHFFFAOYSA-N
MW308.68 g/mol
LogP9.96
Rot. Bonds4

About methane;2,3,7,8-tetramethylnona-2,7-diene

methane;2,3,7,8-tetramethylnona-2,7-diene (PubChem CID 159020428) has the molecular formula C21H56 and a molecular weight of 308.68 g/mol. Its IUPAC name is methane;2,3,7,8-tetramethylnona-2,7-diene.

Molecular Properties

Compound Namemethane;2,3,7,8-tetramethylnona-2,7-diene
PubChem CID159020428
Molecular FormulaC21H56
Molecular Weight308.68 g/mol
Exact Mass308.44
IUPAC Namemethane;2,3,7,8-tetramethylnona-2,7-diene
SMILESC.C.C.C.C.C.C.C.CC(C)=C(C)CCCC(C)=C(C)C
InChIInChI=1S/C13H24.8CH4/c1-10(2)12(5)8-7-9-13(6)11(3)4;;;;;;;;/h7-9H2,1-6H3;8*1H4
InChIKeyJTPUMGXXZDOXDY-UHFFFAOYSA-N
XLogP9.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.68
LogP ≤ 59.96
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 methane;2,3,7,8-tetramethylnona-2,7-diene?
The IUPAC name of methane;2,3,7,8-tetramethylnona-2,7-diene (CID 159020428) is methane;2,3,7,8-tetramethylnona-2,7-diene.
What is the SMILES notation for methane;2,3,7,8-tetramethylnona-2,7-diene?
The canonical SMILES for methane;2,3,7,8-tetramethylnona-2,7-diene is C.C.C.C.C.C.C.C.CC(C)=C(C)CCCC(C)=C(C)C.
What is the InChIKey of methane;2,3,7,8-tetramethylnona-2,7-diene?
The InChIKey is JTPUMGXXZDOXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24.8CH4/c1-10(2)12(5)8-7-9-13(6)11(3)4;;;;;;;;/h7-9H2,1-6H3;8*1H4.
What are the key properties of methane;2,3,7,8-tetramethylnona-2,7-diene?
methane;2,3,7,8-tetramethylnona-2,7-diene has a molecular weight of 308.68 g/mol, XLogP of 9.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2,3,7,8-tetramethylnona-2,7-diene is sourced from PubChem (CID 159020428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).