4-butoxy-4-methylpent-1-ene

C10H20O — CID 90928323

IUPAC4-butoxy-4-methylpent-1-ene
SMILESC=CCC(C)(C)OCCCC
InChIInChI=1S/C10H20O/c1-5-7-9-11-10(3,4)8-6-2/h6H,2,5,7-9H2,1,3-4H3
InChIKeyYCALRGXAJFQYEI-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.16
Rot. Bonds6

About 4-butoxy-4-methylpent-1-ene

4-butoxy-4-methylpent-1-ene (PubChem CID 90928323) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 4-butoxy-4-methylpent-1-ene.

Molecular Properties

Compound Name4-butoxy-4-methylpent-1-ene
PubChem CID90928323
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name4-butoxy-4-methylpent-1-ene
SMILESC=CCC(C)(C)OCCCC
InChIInChI=1S/C10H20O/c1-5-7-9-11-10(3,4)8-6-2/h6H,2,5,7-9H2,1,3-4H3
InChIKeyYCALRGXAJFQYEI-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.16
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-4-methylpent-1-ene?
The IUPAC name of 4-butoxy-4-methylpent-1-ene (CID 90928323) is 4-butoxy-4-methylpent-1-ene.
What is the SMILES notation for 4-butoxy-4-methylpent-1-ene?
The canonical SMILES for 4-butoxy-4-methylpent-1-ene is C=CCC(C)(C)OCCCC.
What is the InChIKey of 4-butoxy-4-methylpent-1-ene?
The InChIKey is YCALRGXAJFQYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-5-7-9-11-10(3,4)8-6-2/h6H,2,5,7-9H2,1,3-4H3.
What are the key properties of 4-butoxy-4-methylpent-1-ene?
4-butoxy-4-methylpent-1-ene has a molecular weight of 156.27 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-4-methylpent-1-ene is sourced from PubChem (CID 90928323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).