3-methyl-1-prop-2-enoxybut-2-ene

C8H14O — CID 11366991

IUPAC3-methyl-1-prop-2-enoxybut-2-ene
SMILESC=CCOCC=C(C)C
InChIInChI=1S/C8H14O/c1-4-6-9-7-5-8(2)3/h4-5H,1,6-7H2,2-3H3
InChIKeyQRJIYGZSPZCPDR-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.16
Rot. Bonds4

About 3-methyl-1-prop-2-enoxybut-2-ene

3-methyl-1-prop-2-enoxybut-2-ene (PubChem CID 11366991) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-methyl-1-prop-2-enoxybut-2-ene.

Molecular Properties

Compound Name3-methyl-1-prop-2-enoxybut-2-ene
PubChem CID11366991
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name3-methyl-1-prop-2-enoxybut-2-ene
SMILESC=CCOCC=C(C)C
InChIInChI=1S/C8H14O/c1-4-6-9-7-5-8(2)3/h4-5H,1,6-7H2,2-3H3
InChIKeyQRJIYGZSPZCPDR-UHFFFAOYSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.16
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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Related Compounds

1-(3-methylbut-2-enoxy)-5-prop-2-enoxypentane
CID 11218120
1-but-2-enoxy-3-methylbut-2-ene
CID 71324581
3,3-dimethyl-4-(3-methylbut-2-enoxy)but-1-ene
CID 11715235
2-methyl-7-prop-2-enoxyhept-2-ene
CID 174363106
CID 87625662
CID 87625662
tris(prop-1-ene);3-prop-2-enoxyprop-1-ene
CID 175414947
Potassium allyloxide
CID 87828396
butane-1,1-diol;3-methyl-1-(3-methylbut-2-enoxy)but-2-ene
CID 174481809
cyclohexane;bis(prop-2-en-1-ol);3-prop-2-enoxyprop-1-ene
CID 67065277
azane;3-prop-2-enoxyprop-1-ene;hydrochloride
CID 173111955
(E)-3-chloro-1-[(E)-3-chlorobut-2-enoxy]but-2-ene
CID 12583671
2-(hydroxymethyl)-3-methylbut-2-ene-1,4-diol;3-prop-2-enoxyprop-1-ene
CID 22617126

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-prop-2-enoxybut-2-ene?
The IUPAC name of 3-methyl-1-prop-2-enoxybut-2-ene (CID 11366991) is 3-methyl-1-prop-2-enoxybut-2-ene.
What is the SMILES notation for 3-methyl-1-prop-2-enoxybut-2-ene?
The canonical SMILES for 3-methyl-1-prop-2-enoxybut-2-ene is C=CCOCC=C(C)C.
What is the InChIKey of 3-methyl-1-prop-2-enoxybut-2-ene?
The InChIKey is QRJIYGZSPZCPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-4-6-9-7-5-8(2)3/h4-5H,1,6-7H2,2-3H3.
What are the key properties of 3-methyl-1-prop-2-enoxybut-2-ene?
3-methyl-1-prop-2-enoxybut-2-ene has a molecular weight of 126.20 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-prop-2-enoxybut-2-ene is sourced from PubChem (CID 11366991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).