4-butoxy-2,4-dimethylpent-2-ene

C11H22O — CID 567127

IUPAC4-butoxy-2,4-dimethylpent-2-ene
SMILESCCCCOC(C)(C)C=C(C)C
InChIInChI=1S/C11H22O/c1-6-7-8-12-11(4,5)9-10(2)3/h9H,6-8H2,1-5H3
InChIKeyHZJXRDPUFZUUEO-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.55
Rot. Bonds5

About 4-butoxy-2,4-dimethylpent-2-ene

4-butoxy-2,4-dimethylpent-2-ene (PubChem CID 567127) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 4-butoxy-2,4-dimethylpent-2-ene.

Molecular Properties

Compound Name4-butoxy-2,4-dimethylpent-2-ene
PubChem CID567127
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name4-butoxy-2,4-dimethylpent-2-ene
SMILESCCCCOC(C)(C)C=C(C)C
InChIInChI=1S/C11H22O/c1-6-7-8-12-11(4,5)9-10(2)3/h9H,6-8H2,1-5H3
InChIKeyHZJXRDPUFZUUEO-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butoxy-2,4-dimethylpent-2-ene?
The IUPAC name of 4-butoxy-2,4-dimethylpent-2-ene (CID 567127) is 4-butoxy-2,4-dimethylpent-2-ene.
What is the SMILES notation for 4-butoxy-2,4-dimethylpent-2-ene?
The canonical SMILES for 4-butoxy-2,4-dimethylpent-2-ene is CCCCOC(C)(C)C=C(C)C.
What is the InChIKey of 4-butoxy-2,4-dimethylpent-2-ene?
The InChIKey is HZJXRDPUFZUUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-6-7-8-12-11(4,5)9-10(2)3/h9H,6-8H2,1-5H3.
What are the key properties of 4-butoxy-2,4-dimethylpent-2-ene?
4-butoxy-2,4-dimethylpent-2-ene has a molecular weight of 170.30 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2,4-dimethylpent-2-ene is sourced from PubChem (CID 567127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).