3-methyl-3-prop-2-enoxybutan-2-one

C8H14O2 — CID 130433860

IUPAC3-methyl-3-prop-2-enoxybutan-2-one
SMILESC=CCOC(C)(C)C(C)=O
InChIInChI=1S/C8H14O2/c1-5-6-10-8(3,4)7(2)9/h5H,1,6H2,2-4H3
InChIKeyGKWNXFUNCIOUTB-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.56
Rot. Bonds4

About 3-methyl-3-prop-2-enoxybutan-2-one

3-methyl-3-prop-2-enoxybutan-2-one (PubChem CID 130433860) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-methyl-3-prop-2-enoxybutan-2-one.

Molecular Properties

Compound Name3-methyl-3-prop-2-enoxybutan-2-one
PubChem CID130433860
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-methyl-3-prop-2-enoxybutan-2-one
SMILESC=CCOC(C)(C)C(C)=O
InChIInChI=1S/C8H14O2/c1-5-6-10-8(3,4)7(2)9/h5H,1,6H2,2-4H3
InChIKeyGKWNXFUNCIOUTB-UHFFFAOYSA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Prop-2-en-1-yloxy)propan-2-one
CID 10909536
1-[(E)-but-2-enoxy]butan-2-one
CID 15256144
3-[(E)-but-2-enoxy]butan-2-one
CID 62277876
1-Prop-2-enoxybutan-2-one
CID 10080414
3-Ethoxy-3-methylpent-4-en-2-one
CID 71399854
1-But-2-enoxybutan-2-one
CID 73190194
1-[(Z)-4-methoxybut-2-enoxy]propan-2-one
CID 90334139
(3S)-3-prop-2-enoxybutan-2-one
CID 93497619
3-(2-Methylprop-2-enoxy)butan-2-one
CID 13146918
2-Prop-2-enoxypentan-3-one
CID 13930061
2-Butanone, 3-(2-propenyloxy)-
CID 45085311
3,3-Dimethyl-1-prop-2-enoxybutan-2-one
CID 62029480

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-prop-2-enoxybutan-2-one?
The IUPAC name of 3-methyl-3-prop-2-enoxybutan-2-one (CID 130433860) is 3-methyl-3-prop-2-enoxybutan-2-one.
What is the SMILES notation for 3-methyl-3-prop-2-enoxybutan-2-one?
The canonical SMILES for 3-methyl-3-prop-2-enoxybutan-2-one is C=CCOC(C)(C)C(C)=O.
What is the InChIKey of 3-methyl-3-prop-2-enoxybutan-2-one?
The InChIKey is GKWNXFUNCIOUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-5-6-10-8(3,4)7(2)9/h5H,1,6H2,2-4H3.
What are the key properties of 3-methyl-3-prop-2-enoxybutan-2-one?
3-methyl-3-prop-2-enoxybutan-2-one has a molecular weight of 142.20 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-prop-2-enoxybutan-2-one is sourced from PubChem (CID 130433860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).