2-methyl-1-prop-1-en-2-yloxybutane

C8H16O — CID 123339026

IUPAC2-methyl-1-prop-1-en-2-yloxybutane
SMILESC=C(C)OCC(C)CC
InChIInChI=1S/C8H16O/c1-5-8(4)6-9-7(2)3/h8H,2,5-6H2,1,3-4H3
InChIKeyLTNLIZHLEWRFSR-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.58
Rot. Bonds4

About 2-methyl-1-prop-1-en-2-yloxybutane

2-methyl-1-prop-1-en-2-yloxybutane (PubChem CID 123339026) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 2-methyl-1-prop-1-en-2-yloxybutane.

Molecular Properties

Compound Name2-methyl-1-prop-1-en-2-yloxybutane
PubChem CID123339026
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name2-methyl-1-prop-1-en-2-yloxybutane
SMILESC=C(C)OCC(C)CC
InChIInChI=1S/C8H16O/c1-5-8(4)6-9-7(2)3/h8H,2,5-6H2,1,3-4H3
InChIKeyLTNLIZHLEWRFSR-UHFFFAOYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.58
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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Related Compounds

2-methylbutyl acetate
CID 90958828
(3Z)-2-methyl-5-(2-methylbutoxy)hexa-1,3,5-triene
CID 143084767
1-prop-1-en-2-yloxypropan-2-ol
CID 15051326
methane;2-methylbutyl acetate
CID 160631044
2-methylbutyl 2-methylidenebutanoate
CID 57090354
[(2S)-2-methylbutyl] (3S)-3-hydroxy-2-methylidenebutanoate
CID 163002337
[(2R)-2-methylbutyl] (Z)-2-methylbut-2-enoate
CID 92973620
2-methyl-1-(2-methylbutoxy)butane
CID 4584641
4-(2-methylbutoxycarbonyl)penta-2,4-dienoic acid
CID 87339303
2-methylbutyl 2,2-dimethylpropanoate
CID 20746726
2,5-dimethylhept-1-en-3-ylhydrazine
CID 105320121
2-methylbutyl 2-aminooxypropanoate
CID 178072336

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-prop-1-en-2-yloxybutane?
The IUPAC name of 2-methyl-1-prop-1-en-2-yloxybutane (CID 123339026) is 2-methyl-1-prop-1-en-2-yloxybutane.
What is the SMILES notation for 2-methyl-1-prop-1-en-2-yloxybutane?
The canonical SMILES for 2-methyl-1-prop-1-en-2-yloxybutane is C=C(C)OCC(C)CC.
What is the InChIKey of 2-methyl-1-prop-1-en-2-yloxybutane?
The InChIKey is LTNLIZHLEWRFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-5-8(4)6-9-7(2)3/h8H,2,5-6H2,1,3-4H3.
What are the key properties of 2-methyl-1-prop-1-en-2-yloxybutane?
2-methyl-1-prop-1-en-2-yloxybutane has a molecular weight of 128.21 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-prop-1-en-2-yloxybutane is sourced from PubChem (CID 123339026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).