but-1-ene;2,3-dimethylbut-2-ene

C10H20 — CID 144536519

IUPACbut-1-ene;2,3-dimethylbut-2-ene
SMILESC=CCC.CC(C)=C(C)C
InChIInChI=1S/C6H12.C4H8/c1-5(2)6(3)4;1-3-4-2/h1-4H3;3H,1,4H2,2H3
InChIKeyMBSUBCUKPHNSRT-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.94
Rot. Bonds1

About but-1-ene;2,3-dimethylbut-2-ene

but-1-ene;2,3-dimethylbut-2-ene (PubChem CID 144536519) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is but-1-ene;2,3-dimethylbut-2-ene.

Molecular Properties

Compound Namebut-1-ene;2,3-dimethylbut-2-ene
PubChem CID144536519
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Namebut-1-ene;2,3-dimethylbut-2-ene
SMILESC=CCC.CC(C)=C(C)C
InChIInChI=1S/C6H12.C4H8/c1-5(2)6(3)4;1-3-4-2/h1-4H3;3H,1,4H2,2H3
InChIKeyMBSUBCUKPHNSRT-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 142132496
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butane;but-1-ene;2-methylprop-1-ene
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but-1-ene;2-methylbut-1-ene
CID 90770104
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CID 174505705
butane;bis(but-1-ene)
CID 160596310
but-1-ene;formonitrile
CID 175774246
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CID 144521241
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Frequently Asked Questions

What is the IUPAC name of but-1-ene;2,3-dimethylbut-2-ene?
The IUPAC name of but-1-ene;2,3-dimethylbut-2-ene (CID 144536519) is but-1-ene;2,3-dimethylbut-2-ene.
What is the SMILES notation for but-1-ene;2,3-dimethylbut-2-ene?
The canonical SMILES for but-1-ene;2,3-dimethylbut-2-ene is C=CCC.CC(C)=C(C)C.
What is the InChIKey of but-1-ene;2,3-dimethylbut-2-ene?
The InChIKey is MBSUBCUKPHNSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C4H8/c1-5(2)6(3)4;1-3-4-2/h1-4H3;3H,1,4H2,2H3.
What are the key properties of but-1-ene;2,3-dimethylbut-2-ene?
but-1-ene;2,3-dimethylbut-2-ene has a molecular weight of 140.27 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;2,3-dimethylbut-2-ene is sourced from PubChem (CID 144536519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).