2,3-dimethylbut-1-ene;2-methylbut-1-ene;2-methylbut-2-ene;3-methylhex-2-ene

C23H46 — CID 173400648

IUPAC2,3-dimethylbut-1-ene;2-methylbut-1-ene;2-methylbut-2-ene;3-methylhex-2-ene
SMILESC=C(C)C(C)C.C=C(C)CC.CC=C(C)C.CC=C(C)CCC
InChIInChI=1S/C7H14.C6H12.2C5H10/c1-4-6-7(3)5-2;1-5(2)6(3)4;2*1-4-5(2)3/h5H,4,6H2,1-3H3;6H,1H2,2-4H3;4H,1-3H3;2,4H2,1,3H3
InChIKeyZTOCDRQBEARAGY-UHFFFAOYSA-N
MW322.62 g/mol
LogP8.92
Rot. Bonds4

About 2,3-dimethylbut-1-ene;2-methylbut-1-ene;2-methylbut-2-ene;3-methylhex-2-ene

2,3-dimethylbut-1-ene;2-methylbut-1-ene;2-methylbut-2-ene;3-methylhex-2-ene (PubChem CID 173400648) has the molecular formula C23H46 and a molecular weight of 322.62 g/mol. Its IUPAC name is 2,3-dimethylbut-1-ene;2-methylbut-1-ene;2-methylbut-2-ene;3-methylhex-2-ene.

Molecular Properties

Compound Name2,3-dimethylbut-1-ene;2-methylbut-1-ene;2-methylbut-2-ene;3-methylhex-2-ene
PubChem CID173400648
Molecular FormulaC23H46
Molecular Weight322.62 g/mol
Exact Mass322.36
IUPAC Name2,3-dimethylbut-1-ene;2-methylbut-1-ene;2-methylbut-2-ene;3-methylhex-2-ene
SMILESC=C(C)C(C)C.C=C(C)CC.CC=C(C)C.CC=C(C)CCC
InChIInChI=1S/C7H14.C6H12.2C5H10/c1-4-6-7(3)5-2;1-5(2)6(3)4;2*1-4-5(2)3/h5H,4,6H2,1-3H3;6H,1H2,2-4H3;4H,1-3H3;2,4H2,1,3H3
InChIKeyZTOCDRQBEARAGY-UHFFFAOYSA-N
XLogP8.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.62
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbut-1-ene;2-methylbut-1-ene;2-methylbut-2-ene;3-methylhex-2-ene?
The IUPAC name of 2,3-dimethylbut-1-ene;2-methylbut-1-ene;2-methylbut-2-ene;3-methylhex-2-ene (CID 173400648) is 2,3-dimethylbut-1-ene;2-methylbut-1-ene;2-methylbut-2-ene;3-methylhex-2-ene.
What is the SMILES notation for 2,3-dimethylbut-1-ene;2-methylbut-1-ene;2-methylbut-2-ene;3-methylhex-2-ene?
The canonical SMILES for 2,3-dimethylbut-1-ene;2-methylbut-1-ene;2-methylbut-2-ene;3-methylhex-2-ene is C=C(C)C(C)C.C=C(C)CC.CC=C(C)C.CC=C(C)CCC.
What is the InChIKey of 2,3-dimethylbut-1-ene;2-methylbut-1-ene;2-methylbut-2-ene;3-methylhex-2-ene?
The InChIKey is ZTOCDRQBEARAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C6H12.2C5H10/c1-4-6-7(3)5-2;1-5(2)6(3)4;2*1-4-5(2)3/h5H,4,6H2,1-3H3;6H,1H2,2-4H3;4H,1-3H3;2,4H2,1,3H3.
What are the key properties of 2,3-dimethylbut-1-ene;2-methylbut-1-ene;2-methylbut-2-ene;3-methylhex-2-ene?
2,3-dimethylbut-1-ene;2-methylbut-1-ene;2-methylbut-2-ene;3-methylhex-2-ene has a molecular weight of 322.62 g/mol, XLogP of 8.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbut-1-ene;2-methylbut-1-ene;2-methylbut-2-ene;3-methylhex-2-ene is sourced from PubChem (CID 173400648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).