tert-butyl 2-(2-acetyloxy-2-methylpropyl)pent-3-enoate

C15H26O4 — CID 123597238

IUPACtert-butyl 2-(2-acetyloxy-2-methylpropyl)pent-3-enoate
SMILESCC=CC(CC(C)(C)OC(C)=O)C(=O)OC(C)(C)C
InChIInChI=1S/C15H26O4/c1-8-9-12(13(17)19-14(3,4)5)10-15(6,7)18-11(2)16/h8-9,12H,10H2,1-7H3
InChIKeyLFFSEYMPFUITRL-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.25
Rot. Bonds5

About tert-butyl 2-(2-acetyloxy-2-methylpropyl)pent-3-enoate

tert-butyl 2-(2-acetyloxy-2-methylpropyl)pent-3-enoate (PubChem CID 123597238) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl 2-(2-acetyloxy-2-methylpropyl)pent-3-enoate.

Molecular Properties

Compound Nametert-butyl 2-(2-acetyloxy-2-methylpropyl)pent-3-enoate
PubChem CID123597238
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Nametert-butyl 2-(2-acetyloxy-2-methylpropyl)pent-3-enoate
SMILESCC=CC(CC(C)(C)OC(C)=O)C(=O)OC(C)(C)C
InChIInChI=1S/C15H26O4/c1-8-9-12(13(17)19-14(3,4)5)10-15(6,7)18-11(2)16/h8-9,12H,10H2,1-7H3
InChIKeyLFFSEYMPFUITRL-UHFFFAOYSA-N
XLogP3.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;tert-butyl acetate;guanidine
CID 174950483
tert-butyl acetate
CID 159704758
tert-butyl (3R)-3-aminohex-4-enoate
CID 2733827
(1-amino-2-methylpropan-2-yl) acetate
CID 20827160
dimethyl (2S,4S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(E)-prop-1-enyl]pentanedioate
CID 135696834
sodium tert-butyl acetate
CID 22391906
tert-butyl acetate;iron
CID 174907269
(1-amino-2-methylpropan-2-yl) acetate;hydrochloride
CID 86587340
[(E)-2-methylpent-3-en-2-yl] acetate
CID 177097453
(4-acetyloxy-2,4-dimethylpentan-2-yl) acetate;methane
CID 161391637
tert-butyl (2R)-2-aminobutanoate
CID 13283520
tert-butyl 4-amino-2-bromobutanoate
CID 57000129

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-acetyloxy-2-methylpropyl)pent-3-enoate?
The IUPAC name of tert-butyl 2-(2-acetyloxy-2-methylpropyl)pent-3-enoate (CID 123597238) is tert-butyl 2-(2-acetyloxy-2-methylpropyl)pent-3-enoate.
What is the SMILES notation for tert-butyl 2-(2-acetyloxy-2-methylpropyl)pent-3-enoate?
The canonical SMILES for tert-butyl 2-(2-acetyloxy-2-methylpropyl)pent-3-enoate is CC=CC(CC(C)(C)OC(C)=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-acetyloxy-2-methylpropyl)pent-3-enoate?
The InChIKey is LFFSEYMPFUITRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-8-9-12(13(17)19-14(3,4)5)10-15(6,7)18-11(2)16/h8-9,12H,10H2,1-7H3.
What are the key properties of tert-butyl 2-(2-acetyloxy-2-methylpropyl)pent-3-enoate?
tert-butyl 2-(2-acetyloxy-2-methylpropyl)pent-3-enoate has a molecular weight of 270.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-acetyloxy-2-methylpropyl)pent-3-enoate is sourced from PubChem (CID 123597238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).