2-methylbuta-1,3-diene;2-methylbut-1-ene

C10H18 — CID 160626231

IUPAC2-methylbuta-1,3-diene;2-methylbut-1-ene
SMILESC=C(C)CC.C=CC(=C)C
InChIInChI=1S/C5H10.C5H8/c2*1-4-5(2)3/h2,4H2,1,3H3;4H,1-2H2,3H3
InChIKeyRHIHURWCKCRHCG-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.72
Rot. Bonds2

About 2-methylbuta-1,3-diene;2-methylbut-1-ene

2-methylbuta-1,3-diene;2-methylbut-1-ene (PubChem CID 160626231) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 2-methylbuta-1,3-diene;2-methylbut-1-ene.

Molecular Properties

Compound Name2-methylbuta-1,3-diene;2-methylbut-1-ene
PubChem CID160626231
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name2-methylbuta-1,3-diene;2-methylbut-1-ene
SMILESC=C(C)CC.C=CC(=C)C
InChIInChI=1S/C5H10.C5H8/c2*1-4-5(2)3/h2,4H2,1,3H3;4H,1-2H2,3H3
InChIKeyRHIHURWCKCRHCG-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.72
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'}

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Related Compounds

but-1-ene;2-methylbut-1-ene
CID 90770104
methane;bis(2-methylbut-1-ene)
CID 160529780
3-fluoro-2-methylprop-1-ene;2-methylbuta-1,3-diene
CID 144585247
(E)-but-2-ene;2-methylbut-1-ene
CID 160732245
but-2-ene;2-methylbut-1-ene
CID 160732246
bis(buta-1,3-diene);2-methylbuta-1,3-diene
CID 161391360
2-methylbuta-1,3-diene;penta-1,4-diene
CID 22568286
ethane;2-methylbuta-1,3-diene;(3Z)-2,3,4-trimethylhexa-1,3-diene
CID 145156103
2,3-diethylbut-2-enedioic acid;2-methylbuta-1,3-diene
CID 173437307
3,3-dimethylpentane;bis(2-methylbuta-1,3-diene)
CID 160814683
2-methylbuta-1,3-diene;3-methylbut-3-en-1-ol
CID 89443123
2-methylbuta-1,3-diene;(3E)-3-methylhexa-1,3-diene
CID 173395749

Frequently Asked Questions

What is the IUPAC name of 2-methylbuta-1,3-diene;2-methylbut-1-ene?
The IUPAC name of 2-methylbuta-1,3-diene;2-methylbut-1-ene (CID 160626231) is 2-methylbuta-1,3-diene;2-methylbut-1-ene.
What is the SMILES notation for 2-methylbuta-1,3-diene;2-methylbut-1-ene?
The canonical SMILES for 2-methylbuta-1,3-diene;2-methylbut-1-ene is C=C(C)CC.C=CC(=C)C.
What is the InChIKey of 2-methylbuta-1,3-diene;2-methylbut-1-ene?
The InChIKey is RHIHURWCKCRHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C5H8/c2*1-4-5(2)3/h2,4H2,1,3H3;4H,1-2H2,3H3.
What are the key properties of 2-methylbuta-1,3-diene;2-methylbut-1-ene?
2-methylbuta-1,3-diene;2-methylbut-1-ene has a molecular weight of 138.25 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbuta-1,3-diene;2-methylbut-1-ene is sourced from PubChem (CID 160626231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).