1-but-2-en-2-yloxy-2-methylbutane

C9H18O — CID 123728104

IUPAC1-but-2-en-2-yloxy-2-methylbutane
SMILESCC=C(C)OCC(C)CC
InChIInChI=1S/C9H18O/c1-5-8(3)7-10-9(4)6-2/h6,8H,5,7H2,1-4H3
InChIKeyXCJXRRJFRUUWFX-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.97
Rot. Bonds4

About 1-but-2-en-2-yloxy-2-methylbutane

1-but-2-en-2-yloxy-2-methylbutane (PubChem CID 123728104) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 1-but-2-en-2-yloxy-2-methylbutane.

Molecular Properties

Compound Name1-but-2-en-2-yloxy-2-methylbutane
PubChem CID123728104
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name1-but-2-en-2-yloxy-2-methylbutane
SMILESCC=C(C)OCC(C)CC
InChIInChI=1S/C9H18O/c1-5-8(3)7-10-9(4)6-2/h6,8H,5,7H2,1-4H3
InChIKeyXCJXRRJFRUUWFX-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-but-2-en-2-yloxy-2-methylbutane?
The IUPAC name of 1-but-2-en-2-yloxy-2-methylbutane (CID 123728104) is 1-but-2-en-2-yloxy-2-methylbutane.
What is the SMILES notation for 1-but-2-en-2-yloxy-2-methylbutane?
The canonical SMILES for 1-but-2-en-2-yloxy-2-methylbutane is CC=C(C)OCC(C)CC.
What is the InChIKey of 1-but-2-en-2-yloxy-2-methylbutane?
The InChIKey is XCJXRRJFRUUWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-5-8(3)7-10-9(4)6-2/h6,8H,5,7H2,1-4H3.
What are the key properties of 1-but-2-en-2-yloxy-2-methylbutane?
1-but-2-en-2-yloxy-2-methylbutane has a molecular weight of 142.24 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-en-2-yloxy-2-methylbutane is sourced from PubChem (CID 123728104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).