2,3-dimethylbuta-1,3-diene;2-methylpenta-1,3-diene;3-methylpenta-1,3-diene;4-methylpenta-1,3-diene

C24H40 — CID 174661963

IUPAC2,3-dimethylbuta-1,3-diene;2-methylpenta-1,3-diene;3-methylpenta-1,3-diene;4-methylpenta-1,3-diene
SMILESC=C(C)C(=C)C.C=C(C)C=CC.C=CC(C)=CC.C=CC=C(C)C
InChIInChI=1S/4C6H10/c1-5(2)6(3)4;2*1-4-5-6(2)3;1-4-6(3)5-2/h1,3H2,2,4H3;4-5H,2H2,1,3H3;2*4-5H,1H2,2-3H3
InChIKeyPSVXUAYFGFIRBR-UHFFFAOYSA-N
MW328.58 g/mol
LogP8.55
Rot. Bonds4

About 2,3-dimethylbuta-1,3-diene;2-methylpenta-1,3-diene;3-methylpenta-1,3-diene;4-methylpenta-1,3-diene

2,3-dimethylbuta-1,3-diene;2-methylpenta-1,3-diene;3-methylpenta-1,3-diene;4-methylpenta-1,3-diene (PubChem CID 174661963) has the molecular formula C24H40 and a molecular weight of 328.58 g/mol. Its IUPAC name is 2,3-dimethylbuta-1,3-diene;2-methylpenta-1,3-diene;3-methylpenta-1,3-diene;4-methylpenta-1,3-diene.

Molecular Properties

Compound Name2,3-dimethylbuta-1,3-diene;2-methylpenta-1,3-diene;3-methylpenta-1,3-diene;4-methylpenta-1,3-diene
PubChem CID174661963
Molecular FormulaC24H40
Molecular Weight328.58 g/mol
Exact Mass328.31
IUPAC Name2,3-dimethylbuta-1,3-diene;2-methylpenta-1,3-diene;3-methylpenta-1,3-diene;4-methylpenta-1,3-diene
SMILESC=C(C)C(=C)C.C=C(C)C=CC.C=CC(C)=CC.C=CC=C(C)C
InChIInChI=1S/4C6H10/c1-5(2)6(3)4;2*1-4-5-6(2)3;1-4-6(3)5-2/h1,3H2,2,4H3;4-5H,2H2,1,3H3;2*4-5H,1H2,2-3H3
InChIKeyPSVXUAYFGFIRBR-UHFFFAOYSA-N
XLogP8.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.58
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

buta-1,3-dien-2-ol;(3Z)-2-methylpenta-1,3-diene
CID 144612392
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
2-methylpenta-1,3-diene;penta-1,3-diene
CID 158114840
ethane;ethene;(3Z)-2-methylpenta-1,3-diene
CID 143006667
(3Z,5E)-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 142147647
(3E)-3-methylhexa-1,3,5-triene
CID 5367380
buta-1,3-diene;2,3-dimethylbuta-1,3-diene;2-methylbuta-1,3-diene
CID 163756056
3-ethenyl-6-methylhepta-1,3,5-triene;(3Z,5Z)-2-methylhepta-1,3,5-triene
CID 144604694
(Z)-but-2-ene;(3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraene
CID 163402506
(3Z)-3,6-dimethylhepta-1,3,5-triene;ethane;2-methylprop-1-ene
CID 145084506
ethane;(3E,6E)-6-ethenyl-9-methyl-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one
CID 144664030

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbuta-1,3-diene;2-methylpenta-1,3-diene;3-methylpenta-1,3-diene;4-methylpenta-1,3-diene?
The IUPAC name of 2,3-dimethylbuta-1,3-diene;2-methylpenta-1,3-diene;3-methylpenta-1,3-diene;4-methylpenta-1,3-diene (CID 174661963) is 2,3-dimethylbuta-1,3-diene;2-methylpenta-1,3-diene;3-methylpenta-1,3-diene;4-methylpenta-1,3-diene.
What is the SMILES notation for 2,3-dimethylbuta-1,3-diene;2-methylpenta-1,3-diene;3-methylpenta-1,3-diene;4-methylpenta-1,3-diene?
The canonical SMILES for 2,3-dimethylbuta-1,3-diene;2-methylpenta-1,3-diene;3-methylpenta-1,3-diene;4-methylpenta-1,3-diene is C=C(C)C(=C)C.C=C(C)C=CC.C=CC(C)=CC.C=CC=C(C)C.
What is the InChIKey of 2,3-dimethylbuta-1,3-diene;2-methylpenta-1,3-diene;3-methylpenta-1,3-diene;4-methylpenta-1,3-diene?
The InChIKey is PSVXUAYFGFIRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H10/c1-5(2)6(3)4;2*1-4-5-6(2)3;1-4-6(3)5-2/h1,3H2,2,4H3;4-5H,2H2,1,3H3;2*4-5H,1H2,2-3H3.
What are the key properties of 2,3-dimethylbuta-1,3-diene;2-methylpenta-1,3-diene;3-methylpenta-1,3-diene;4-methylpenta-1,3-diene?
2,3-dimethylbuta-1,3-diene;2-methylpenta-1,3-diene;3-methylpenta-1,3-diene;4-methylpenta-1,3-diene has a molecular weight of 328.58 g/mol, XLogP of 8.55, 4 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;2-methylpenta-1,3-diene;3-methylpenta-1,3-diene;4-methylpenta-1,3-diene is sourced from PubChem (CID 174661963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).