[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl] 2-methylprop-2-enoate

C15H28O3 — CID 123706360

IUPAC[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)CCOC(C)(CC)CC
InChIInChI=1S/C15H28O3/c1-8-15(7,9-2)17-11-10-14(5,6)18-13(16)12(3)4/h3,8-11H2,1-2,4-7H3
InChIKeyFXPUUJWOCYMOTD-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.87
Rot. Bonds8

About [2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl] 2-methylprop-2-enoate

[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl] 2-methylprop-2-enoate (PubChem CID 123706360) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is [2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl] 2-methylprop-2-enoate
PubChem CID123706360
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)CCOC(C)(CC)CC
InChIInChI=1S/C15H28O3/c1-8-15(7,9-2)17-11-10-14(5,6)18-13(16)12(3)4/h3,8-11H2,1-2,4-7H3
InChIKeyFXPUUJWOCYMOTD-UHFFFAOYSA-N
XLogP3.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5,5-trimethylhexan-2-yl 2-methylprop-2-enoate
CID 88557517
[1-(3-ethyl-1-hydroxypentan-3-yl)oxy-3-methylpentan-3-yl] 2-methylprop-2-enoate
CID 89265326
[2-methyl-4-[2-[4-[2-[4-[2-[3-methyl-3-(2-methylprop-2-enoyloxy)butoxy]propan-2-yl]phenyl]propan-2-yl]phenyl]propan-2-yloxy]butan-2-yl] 2-methylprop-2-enoate
CID 89135330
2-methyltriacontan-2-yl 2-methylprop-2-enoate
CID 21364873
[1-[bis[2-methyl-2-(2-methylprop-2-enoyloxy)propyl]amino]-2-methylpropan-2-yl] 2-methylprop-2-enoate
CID 87627513
[4-[2,4-dimethyl-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-2-yl]oxy-2-methylbutan-2-yl] 2-methylprop-2-enoate
CID 91034972
2-dodecoxypropan-2-yl 2-methylprop-2-enoate
CID 139797914
[2-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yloxy]butan-2-yl] 2-methylprop-2-enoate
CID 138631455
(2-methyl-1-methylsulfanylbutan-2-yl) 2-methylprop-2-enoate
CID 20643704
dimethyl-[3-methyl-3-(2-methylprop-2-enoyloxy)butoxy]-(2-methylprop-2-enoyloxymethyl)azanium
CID 123399868
[1-(3,5-dimethyl-4-oxohex-5-en-3-yl)oxy-3-ethylpentan-3-yl] 2-methylprop-2-enoate
CID 139548622
[2,6-dimethyl-6-(2-methylprop-2-enoyloxy)-4-oxoheptan-2-yl] 2-methylprop-2-enoate
CID 139852007

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl] 2-methylprop-2-enoate (CID 123706360) is [2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)CCOC(C)(CC)CC.
What is the InChIKey of [2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl] 2-methylprop-2-enoate?
The InChIKey is FXPUUJWOCYMOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-8-15(7,9-2)17-11-10-14(5,6)18-13(16)12(3)4/h3,8-11H2,1-2,4-7H3.
What are the key properties of [2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl] 2-methylprop-2-enoate?
[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl] 2-methylprop-2-enoate has a molecular weight of 256.39 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 123706360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).