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

C15H30 — CID 163787283

IUPACbut-2-ene;2,3-dimethylbut-2-ene;2-methylbut-2-ene
SMILESCC(C)=C(C)C.CC=C(C)C.CC=CC
InChIInChI=1S/C6H12.C5H10.C4H8/c1-5(2)6(3)4;1-4-5(2)3;1-3-4-2/h1-4H3;4H,1-3H3;3-4H,1-2H3
InChIKeyMTQCQMRBMUBKBQ-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.92
Rot. Bonds

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

but-2-ene;2,3-dimethylbut-2-ene;2-methylbut-2-ene (PubChem CID 163787283) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is but-2-ene;2,3-dimethylbut-2-ene;2-methylbut-2-ene.

Molecular Properties

Compound Namebut-2-ene;2,3-dimethylbut-2-ene;2-methylbut-2-ene
PubChem CID163787283
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Namebut-2-ene;2,3-dimethylbut-2-ene;2-methylbut-2-ene
SMILESCC(C)=C(C)C.CC=C(C)C.CC=CC
InChIInChI=1S/C6H12.C5H10.C4H8/c1-5(2)6(3)4;1-4-5(2)3;1-3-4-2/h1-4H3;4H,1-3H3;3-4H,1-2H3
InChIKeyMTQCQMRBMUBKBQ-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.92
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

(E)-but-2-ene;ethane;2-methylbut-2-ene
CID 144902553
but-2-ene;2,3-dimethylbut-2-ene;1,2,3,4,5,6-hexamethylbenzene
CID 159129815
alumane;2-methylbut-2-ene
CID 174293100
lithium;hydride;2-methylbut-2-ene
CID 174648153
2-methylbut-2-ene;silane;hydrate
CID 174815005
acetic acid;2-methylbut-2-ene
CID 155128325
2-methylbut-2-ene;(3E)-penta-1,3-diene
CID 6441481
but-2-ene;hydrofluoride
CID 160556119
2,3-dimethylbut-2-ene;phosphane
CID 159112773
CID 161256128
CID 161256128
azane;but-2-ene
CID 158027647
(Z)-but-2-ene;ethane
CID 90897883

Frequently Asked Questions

What is the IUPAC name of but-2-ene;2,3-dimethylbut-2-ene;2-methylbut-2-ene?
The IUPAC name of but-2-ene;2,3-dimethylbut-2-ene;2-methylbut-2-ene (CID 163787283) is but-2-ene;2,3-dimethylbut-2-ene;2-methylbut-2-ene.
What is the SMILES notation for but-2-ene;2,3-dimethylbut-2-ene;2-methylbut-2-ene?
The canonical SMILES for but-2-ene;2,3-dimethylbut-2-ene;2-methylbut-2-ene is CC(C)=C(C)C.CC=C(C)C.CC=CC.
What is the InChIKey of but-2-ene;2,3-dimethylbut-2-ene;2-methylbut-2-ene?
The InChIKey is MTQCQMRBMUBKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C5H10.C4H8/c1-5(2)6(3)4;1-4-5(2)3;1-3-4-2/h1-4H3;4H,1-3H3;3-4H,1-2H3.
What are the key properties of but-2-ene;2,3-dimethylbut-2-ene;2-methylbut-2-ene?
but-2-ene;2,3-dimethylbut-2-ene;2-methylbut-2-ene has a molecular weight of 210.40 g/mol, XLogP of 5.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ene;2,3-dimethylbut-2-ene;2-methylbut-2-ene is sourced from PubChem (CID 163787283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).