2,4,4-trimethylpent-1-ene;2,4,4-trimethylpent-2-ene

C16H32 — CID 102601787

IUPAC2,4,4-trimethylpent-1-ene;2,4,4-trimethylpent-2-ene
SMILESC=C(C)CC(C)(C)C.CC(C)=CC(C)(C)C
InChIInChI=1S/2C8H16/c2*1-7(2)6-8(3,4)5/h6H,1-5H3;1,6H2,2-5H3
InChIKeyZZBYUJLKFQXHHJ-UHFFFAOYSA-N
MW224.43 g/mol
LogP6.00
Rot. Bonds1

About 2,4,4-trimethylpent-1-ene;2,4,4-trimethylpent-2-ene

2,4,4-trimethylpent-1-ene;2,4,4-trimethylpent-2-ene (PubChem CID 102601787) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 2,4,4-trimethylpent-1-ene;2,4,4-trimethylpent-2-ene.

Molecular Properties

Compound Name2,4,4-trimethylpent-1-ene;2,4,4-trimethylpent-2-ene
PubChem CID102601787
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name2,4,4-trimethylpent-1-ene;2,4,4-trimethylpent-2-ene
SMILESC=C(C)CC(C)(C)C.CC(C)=CC(C)(C)C
InChIInChI=1S/2C8H16/c2*1-7(2)6-8(3,4)5/h6H,1-5H3;1,6H2,2-5H3
InChIKeyZZBYUJLKFQXHHJ-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 56.00
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 2,4,4-trimethylpent-1-ene;2,4,4-trimethylpent-2-ene?
The IUPAC name of 2,4,4-trimethylpent-1-ene;2,4,4-trimethylpent-2-ene (CID 102601787) is 2,4,4-trimethylpent-1-ene;2,4,4-trimethylpent-2-ene.
What is the SMILES notation for 2,4,4-trimethylpent-1-ene;2,4,4-trimethylpent-2-ene?
The canonical SMILES for 2,4,4-trimethylpent-1-ene;2,4,4-trimethylpent-2-ene is C=C(C)CC(C)(C)C.CC(C)=CC(C)(C)C.
What is the InChIKey of 2,4,4-trimethylpent-1-ene;2,4,4-trimethylpent-2-ene?
The InChIKey is ZZBYUJLKFQXHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16/c2*1-7(2)6-8(3,4)5/h6H,1-5H3;1,6H2,2-5H3.
What are the key properties of 2,4,4-trimethylpent-1-ene;2,4,4-trimethylpent-2-ene?
2,4,4-trimethylpent-1-ene;2,4,4-trimethylpent-2-ene has a molecular weight of 224.43 g/mol, XLogP of 6.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethylpent-1-ene;2,4,4-trimethylpent-2-ene is sourced from PubChem (CID 102601787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).