1-(2-methylprop-2-enoxy)butane

C8H16O — CID 545778

IUPAC1-(2-methylprop-2-enoxy)butane
SMILESC=C(C)COCCCC
InChIInChI=1S/C8H16O/c1-4-5-6-9-7-8(2)3/h2,4-7H2,1,3H3
InChIKeyPCUWKMVRPVLRAL-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.38
Rot. Bonds5

About 1-(2-methylprop-2-enoxy)butane

1-(2-methylprop-2-enoxy)butane (PubChem CID 545778) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 1-(2-methylprop-2-enoxy)butane.

Molecular Properties

Compound Name1-(2-methylprop-2-enoxy)butane
PubChem CID545778
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name1-(2-methylprop-2-enoxy)butane
SMILESC=C(C)COCCCC
InChIInChI=1S/C8H16O/c1-4-5-6-9-7-8(2)3/h2,4-7H2,1,3H3
InChIKeyPCUWKMVRPVLRAL-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
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

Dimethallyl ether
CID 136448
Ether, methyl 2-methylallyl
CID 519946
Dimethylallyl ether
CID 10920736
Methallyl propyl ether
CID 521470
3,3'-(1,2-Ethanediylbis(oxy))bis(2-methylpropene)
CID 6452312
1,1-Dimethylethyl 2-methyl-2-propenyl ether
CID 12962883
2-Butene, 1-butoxy-3-methyl-
CID 551194
1-Butene, 3-butoxy-2-methyl-
CID 551198
3-Ethoxy-2-methylpropene
CID 10909503
Methyl-d3 2-methyl-2-propenyl ether
CID 168489387
2-Ethoxyethylmethallyl ether
CID 20492916
3-Butoxy-2-(butoxymethyl)-propene
CID 129659986

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enoxy)butane?
The IUPAC name of 1-(2-methylprop-2-enoxy)butane (CID 545778) is 1-(2-methylprop-2-enoxy)butane.
What is the SMILES notation for 1-(2-methylprop-2-enoxy)butane?
The canonical SMILES for 1-(2-methylprop-2-enoxy)butane is C=C(C)COCCCC.
What is the InChIKey of 1-(2-methylprop-2-enoxy)butane?
The InChIKey is PCUWKMVRPVLRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-4-5-6-9-7-8(2)3/h2,4-7H2,1,3H3.
What are the key properties of 1-(2-methylprop-2-enoxy)butane?
1-(2-methylprop-2-enoxy)butane has a molecular weight of 128.21 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enoxy)butane is sourced from PubChem (CID 545778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).