2,3-dimethylbuta-1,3-diene;3,3-dimethylheptane;ethene;methane;2,3,4-trimethylpenta-1,3-diene

C26H52 — CID 144524551

IUPAC2,3-dimethylbuta-1,3-diene;3,3-dimethylheptane;ethene;methane;2,3,4-trimethylpenta-1,3-diene
SMILESC.C=C.C=C(C)C(=C)C.C=C(C)C(C)=C(C)C.CCCCC(C)(C)CC
InChIInChI=1S/C9H20.C8H14.C6H10.C2H4.CH4/c1-5-7-8-9(3,4)6-2;1-6(2)8(5)7(3)4;1-5(2)6(3)4;1-2;/h5-8H2,1-4H3;1H2,2-5H3;1,3H2,2,4H3;1-2H2;1H4
InChIKeyVWTCZWIBZWIBCZ-UHFFFAOYSA-N
MW364.70 g/mol
LogP10.11
Rot. Bonds6

About 2,3-dimethylbuta-1,3-diene;3,3-dimethylheptane;ethene;methane;2,3,4-trimethylpenta-1,3-diene

2,3-dimethylbuta-1,3-diene;3,3-dimethylheptane;ethene;methane;2,3,4-trimethylpenta-1,3-diene (PubChem CID 144524551) has the molecular formula C26H52 and a molecular weight of 364.70 g/mol. Its IUPAC name is 2,3-dimethylbuta-1,3-diene;3,3-dimethylheptane;ethene;methane;2,3,4-trimethylpenta-1,3-diene.

Molecular Properties

Compound Name2,3-dimethylbuta-1,3-diene;3,3-dimethylheptane;ethene;methane;2,3,4-trimethylpenta-1,3-diene
PubChem CID144524551
Molecular FormulaC26H52
Molecular Weight364.70 g/mol
Exact Mass364.41
IUPAC Name2,3-dimethylbuta-1,3-diene;3,3-dimethylheptane;ethene;methane;2,3,4-trimethylpenta-1,3-diene
SMILESC.C=C.C=C(C)C(=C)C.C=C(C)C(C)=C(C)C.CCCCC(C)(C)CC
InChIInChI=1S/C9H20.C8H14.C6H10.C2H4.CH4/c1-5-7-8-9(3,4)6-2;1-6(2)8(5)7(3)4;1-5(2)6(3)4;1-2;/h5-8H2,1-4H3;1H2,2-5H3;1,3H2,2,4H3;1-2H2;1H4
InChIKeyVWTCZWIBZWIBCZ-UHFFFAOYSA-N
XLogP10.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.70
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3-dimethylbuta-1,3-diene;3,3-dimethylheptane;ethene;methane;2,3,4-trimethylpenta-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethylheptane;ethane-1,2-diol
CID 90284341
3,3-dimethyldodecane
CID 15930786
3,3-dimethyloctane;ethane
CID 145013248
3,3-dimethylpentadecane
CID 86034940
N-(2,2-dimethylhexyl)-2-methylprop-2-enamide
CID 129167634
3,3,19,19-tetramethylhenicosane
CID 123780647
3,3,9,9-tetramethylundecane
CID 20661116
8,8-dimethyldecyl 2-methylprop-2-enoate
CID 58241592
N-(5,5-dimethylheptyl)hydroxylamine
CID 143799297
3,3-dimethylhexane
CID 11233
5,5-dimethylnonane;bis(2-methylpropan-2-amine)
CID 159841481
N-butyl-N'-(4,4-dimethylhexyl)ethane-1,2-diamine
CID 154936879

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbuta-1,3-diene;3,3-dimethylheptane;ethene;methane;2,3,4-trimethylpenta-1,3-diene?
The IUPAC name of 2,3-dimethylbuta-1,3-diene;3,3-dimethylheptane;ethene;methane;2,3,4-trimethylpenta-1,3-diene (CID 144524551) is 2,3-dimethylbuta-1,3-diene;3,3-dimethylheptane;ethene;methane;2,3,4-trimethylpenta-1,3-diene.
What is the SMILES notation for 2,3-dimethylbuta-1,3-diene;3,3-dimethylheptane;ethene;methane;2,3,4-trimethylpenta-1,3-diene?
The canonical SMILES for 2,3-dimethylbuta-1,3-diene;3,3-dimethylheptane;ethene;methane;2,3,4-trimethylpenta-1,3-diene is C.C=C.C=C(C)C(=C)C.C=C(C)C(C)=C(C)C.CCCCC(C)(C)CC.
What is the InChIKey of 2,3-dimethylbuta-1,3-diene;3,3-dimethylheptane;ethene;methane;2,3,4-trimethylpenta-1,3-diene?
The InChIKey is VWTCZWIBZWIBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.C8H14.C6H10.C2H4.CH4/c1-5-7-8-9(3,4)6-2;1-6(2)8(5)7(3)4;1-5(2)6(3)4;1-2;/h5-8H2,1-4H3;1H2,2-5H3;1,3H2,2,4H3;1-2H2;1H4.
What are the key properties of 2,3-dimethylbuta-1,3-diene;3,3-dimethylheptane;ethene;methane;2,3,4-trimethylpenta-1,3-diene?
2,3-dimethylbuta-1,3-diene;3,3-dimethylheptane;ethene;methane;2,3,4-trimethylpenta-1,3-diene has a molecular weight of 364.70 g/mol, XLogP of 10.11, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbuta-1,3-diene;3,3-dimethylheptane;ethene;methane;2,3,4-trimethylpenta-1,3-diene is sourced from PubChem (CID 144524551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).