but-2-ene;2,3-dimethylbut-2-ene;1,2,3,4,5,6-hexamethylbenzene

C22H38 — CID 159129815

IUPACbut-2-ene;2,3-dimethylbut-2-ene;1,2,3,4,5,6-hexamethylbenzene
SMILESCC(C)=C(C)C.CC=CC.Cc1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C12H18.C6H12.C4H8/c1-7-8(2)10(4)12(6)11(5)9(7)3;1-5(2)6(3)4;1-3-4-2/h1-6H3;1-4H3;3-4H,1-2H3
InChIKeyKGSXOPLZFXMQSD-UHFFFAOYSA-N
MW302.55 g/mol
LogP7.48
Rot. Bonds

About but-2-ene;2,3-dimethylbut-2-ene;1,2,3,4,5,6-hexamethylbenzene

but-2-ene;2,3-dimethylbut-2-ene;1,2,3,4,5,6-hexamethylbenzene (PubChem CID 159129815) has the molecular formula C22H38 and a molecular weight of 302.55 g/mol. Its IUPAC name is but-2-ene;2,3-dimethylbut-2-ene;1,2,3,4,5,6-hexamethylbenzene.

Molecular Properties

Compound Namebut-2-ene;2,3-dimethylbut-2-ene;1,2,3,4,5,6-hexamethylbenzene
PubChem CID159129815
Molecular FormulaC22H38
Molecular Weight302.55 g/mol
Exact Mass302.30
IUPAC Namebut-2-ene;2,3-dimethylbut-2-ene;1,2,3,4,5,6-hexamethylbenzene
SMILESCC(C)=C(C)C.CC=CC.Cc1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C12H18.C6H12.C4H8/c1-7-8(2)10(4)12(6)11(5)9(7)3;1-5(2)6(3)4;1-3-4-2/h1-6H3;1-4H3;3-4H,1-2H3
InChIKeyKGSXOPLZFXMQSD-UHFFFAOYSA-N
XLogP7.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.55
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-2-ene;2,3-dimethylbut-2-ene;1,2,3,4,5,6-hexamethylbenzene?
The IUPAC name of but-2-ene;2,3-dimethylbut-2-ene;1,2,3,4,5,6-hexamethylbenzene (CID 159129815) is but-2-ene;2,3-dimethylbut-2-ene;1,2,3,4,5,6-hexamethylbenzene.
What is the SMILES notation for but-2-ene;2,3-dimethylbut-2-ene;1,2,3,4,5,6-hexamethylbenzene?
The canonical SMILES for but-2-ene;2,3-dimethylbut-2-ene;1,2,3,4,5,6-hexamethylbenzene is CC(C)=C(C)C.CC=CC.Cc1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of but-2-ene;2,3-dimethylbut-2-ene;1,2,3,4,5,6-hexamethylbenzene?
The InChIKey is KGSXOPLZFXMQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.C6H12.C4H8/c1-7-8(2)10(4)12(6)11(5)9(7)3;1-5(2)6(3)4;1-3-4-2/h1-6H3;1-4H3;3-4H,1-2H3.
What are the key properties of but-2-ene;2,3-dimethylbut-2-ene;1,2,3,4,5,6-hexamethylbenzene?
but-2-ene;2,3-dimethylbut-2-ene;1,2,3,4,5,6-hexamethylbenzene has a molecular weight of 302.55 g/mol, XLogP of 7.48, 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;1,2,3,4,5,6-hexamethylbenzene is sourced from PubChem (CID 159129815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).