1-but-3-enoxy-2-methylpropane

C8H16O — CID 19422327

IUPAC1-but-3-enoxy-2-methylpropane
SMILESC=CCCOCC(C)C
InChIInChI=1S/C8H16O/c1-4-5-6-9-7-8(2)3/h4,8H,1,5-7H2,2-3H3
InChIKeyYSNSDOOAIQMSLL-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.24
Rot. Bonds5

About 1-but-3-enoxy-2-methylpropane

1-but-3-enoxy-2-methylpropane (PubChem CID 19422327) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 1-but-3-enoxy-2-methylpropane.

Molecular Properties

Compound Name1-but-3-enoxy-2-methylpropane
PubChem CID19422327
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name1-but-3-enoxy-2-methylpropane
SMILESC=CCCOCC(C)C
InChIInChI=1S/C8H16O/c1-4-5-6-9-7-8(2)3/h4,8H,1,5-7H2,2-3H3
InChIKeyYSNSDOOAIQMSLL-UHFFFAOYSA-N
XLogP2.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.24
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 1-but-3-enoxy-2-methylpropane?
The IUPAC name of 1-but-3-enoxy-2-methylpropane (CID 19422327) is 1-but-3-enoxy-2-methylpropane.
What is the SMILES notation for 1-but-3-enoxy-2-methylpropane?
The canonical SMILES for 1-but-3-enoxy-2-methylpropane is C=CCCOCC(C)C.
What is the InChIKey of 1-but-3-enoxy-2-methylpropane?
The InChIKey is YSNSDOOAIQMSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-4-5-6-9-7-8(2)3/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 1-but-3-enoxy-2-methylpropane?
1-but-3-enoxy-2-methylpropane has a molecular weight of 128.21 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enoxy-2-methylpropane is sourced from PubChem (CID 19422327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).