1-butan-2-yloxybut-3-en-2-one;methane

C10H22O2 — CID 160543483

IUPAC1-butan-2-yloxybut-3-en-2-one;methane
SMILESC.C.C=CC(=O)COC(C)CC
InChIInChI=1S/C8H14O2.2CH4/c1-4-7(3)10-6-8(9)5-2;;/h5,7H,2,4,6H2,1,3H3;2*1H4
InChIKeyQXCJAFBTPCZZQT-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.83
Rot. Bonds5

About 1-butan-2-yloxybut-3-en-2-one;methane

1-butan-2-yloxybut-3-en-2-one;methane (PubChem CID 160543483) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 1-butan-2-yloxybut-3-en-2-one;methane.

Molecular Properties

Compound Name1-butan-2-yloxybut-3-en-2-one;methane
PubChem CID160543483
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name1-butan-2-yloxybut-3-en-2-one;methane
SMILESC.C.C=CC(=O)COC(C)CC
InChIInChI=1S/C8H14O2.2CH4/c1-4-7(3)10-6-8(9)5-2;;/h5,7H,2,4,6H2,1,3H3;2*1H4
InChIKeyQXCJAFBTPCZZQT-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Acetoxymethyl Vinyl Ketone
CID 3574547
1-Methoxy-3-buten-2-one
CID 5314562
Ethoxybutenone
CID 10931402
Ethoxy methylideneacetylacetone
CID 53423746
1-(1-Fluoroethoxy)but-3-en-2-one
CID 57676253
1-Butan-2-yloxybut-3-en-2-one;fluoromethane;1,1,1-trifluorobutane
CID 91236008
1-Butoxybut-3-en-2-one
CID 15942424
1-(2,2-Dimethylpropoxy)but-3-en-2-one
CID 20617606
1-Butan-2-yloxybut-3-en-2-one
CID 21020566
4-Methoxypent-1-en-3-one
CID 21881880
4-Ethoxypent-1-en-3-one
CID 22267021
1-[2-(2-Oxobut-3-enoxy)ethoxy]but-3-en-2-one
CID 23591514

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yloxybut-3-en-2-one;methane?
The IUPAC name of 1-butan-2-yloxybut-3-en-2-one;methane (CID 160543483) is 1-butan-2-yloxybut-3-en-2-one;methane.
What is the SMILES notation for 1-butan-2-yloxybut-3-en-2-one;methane?
The canonical SMILES for 1-butan-2-yloxybut-3-en-2-one;methane is C.C.C=CC(=O)COC(C)CC.
What is the InChIKey of 1-butan-2-yloxybut-3-en-2-one;methane?
The InChIKey is QXCJAFBTPCZZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.2CH4/c1-4-7(3)10-6-8(9)5-2;;/h5,7H,2,4,6H2,1,3H3;2*1H4.
What are the key properties of 1-butan-2-yloxybut-3-en-2-one;methane?
1-butan-2-yloxybut-3-en-2-one;methane has a molecular weight of 174.28 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yloxybut-3-en-2-one;methane is sourced from PubChem (CID 160543483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).