buta-1,3-diene;2,3-dimethylbuta-1,3-diene;2-methylbuta-1,3-diene

C15H24 — CID 163756056

IUPACbuta-1,3-diene;2,3-dimethylbuta-1,3-diene;2-methylbuta-1,3-diene
SMILESC=C(C)C(=C)C.C=CC(=C)C.C=CC=C
InChIInChI=1S/C6H10.C5H8.C4H6/c1-5(2)6(3)4;1-4-5(2)3;1-3-4-2/h1,3H2,2,4H3;4H,1-2H2,3H3;3-4H,1-2H2
InChIKeyLUDASEDUQNETGZ-UHFFFAOYSA-N
MW204.36 g/mol
LogP5.25
Rot. Bonds3

About buta-1,3-diene;2,3-dimethylbuta-1,3-diene;2-methylbuta-1,3-diene

buta-1,3-diene;2,3-dimethylbuta-1,3-diene;2-methylbuta-1,3-diene (PubChem CID 163756056) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is buta-1,3-diene;2,3-dimethylbuta-1,3-diene;2-methylbuta-1,3-diene.

Molecular Properties

Compound Namebuta-1,3-diene;2,3-dimethylbuta-1,3-diene;2-methylbuta-1,3-diene
PubChem CID163756056
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Namebuta-1,3-diene;2,3-dimethylbuta-1,3-diene;2-methylbuta-1,3-diene
SMILESC=C(C)C(=C)C.C=CC(=C)C.C=CC=C
InChIInChI=1S/C6H10.C5H8.C4H6/c1-5(2)6(3)4;1-4-5(2)3;1-3-4-2/h1,3H2,2,4H3;4H,1-2H2,3H3;3-4H,1-2H2
InChIKeyLUDASEDUQNETGZ-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.25
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

bis(buta-1,3-diene);2-methylbuta-1,3-diene
CID 161391360
buta-1,3-diene;bis(2-methylprop-1-ene)
CID 157325462
buta-1,3-diene;2-methylbuta-1,3-diene;2-methylprop-2-enenitrile
CID 174444514
formonitrile;2-methylbuta-1,3-diene
CID 159945395
methoxymethane;2-methylbuta-1,3-diene
CID 159763877
2-methylbuta-1,3-diene;2-methylpropane
CID 19064095
acetic acid;2-methylbuta-1,3-diene
CID 162329319
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231
(E)-2-fluorobut-2-ene;2-methylbuta-1,3-diene
CID 142535063
2-methylbuta-1,3-diene;penta-1,4-diene
CID 22568286
ethane;(3E)-3-ethenyl-2-methylhexa-1,3,5-triene;2-methylprop-1-ene
CID 142058077
2-methylbuta-1,3-diene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 87864709

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;2,3-dimethylbuta-1,3-diene;2-methylbuta-1,3-diene?
The IUPAC name of buta-1,3-diene;2,3-dimethylbuta-1,3-diene;2-methylbuta-1,3-diene (CID 163756056) is buta-1,3-diene;2,3-dimethylbuta-1,3-diene;2-methylbuta-1,3-diene.
What is the SMILES notation for buta-1,3-diene;2,3-dimethylbuta-1,3-diene;2-methylbuta-1,3-diene?
The canonical SMILES for buta-1,3-diene;2,3-dimethylbuta-1,3-diene;2-methylbuta-1,3-diene is C=C(C)C(=C)C.C=CC(=C)C.C=CC=C.
What is the InChIKey of buta-1,3-diene;2,3-dimethylbuta-1,3-diene;2-methylbuta-1,3-diene?
The InChIKey is LUDASEDUQNETGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.C5H8.C4H6/c1-5(2)6(3)4;1-4-5(2)3;1-3-4-2/h1,3H2,2,4H3;4H,1-2H2,3H3;3-4H,1-2H2.
What are the key properties of buta-1,3-diene;2,3-dimethylbuta-1,3-diene;2-methylbuta-1,3-diene?
buta-1,3-diene;2,3-dimethylbuta-1,3-diene;2-methylbuta-1,3-diene has a molecular weight of 204.36 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;2,3-dimethylbuta-1,3-diene;2-methylbuta-1,3-diene is sourced from PubChem (CID 163756056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).