tert-butyl 3-hydroxy-2,3-dimethyl-4-(2-methylprop-2-enoyloxy)pentanoate

C15H26O5 — CID 118501651

IUPACtert-butyl 3-hydroxy-2,3-dimethyl-4-(2-methylprop-2-enoyloxy)pentanoate
SMILESC=C(C)C(=O)OC(C)C(C)(O)C(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H26O5/c1-9(2)12(16)19-11(4)15(8,18)10(3)13(17)20-14(5,6)7/h10-11,18H,1H2,2-8H3
InChIKeyOMIBPYYDWWDPGJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.22
Rot. Bonds5

About tert-butyl 3-hydroxy-2,3-dimethyl-4-(2-methylprop-2-enoyloxy)pentanoate

tert-butyl 3-hydroxy-2,3-dimethyl-4-(2-methylprop-2-enoyloxy)pentanoate (PubChem CID 118501651) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl 3-hydroxy-2,3-dimethyl-4-(2-methylprop-2-enoyloxy)pentanoate.

Molecular Properties

Compound Nametert-butyl 3-hydroxy-2,3-dimethyl-4-(2-methylprop-2-enoyloxy)pentanoate
PubChem CID118501651
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Nametert-butyl 3-hydroxy-2,3-dimethyl-4-(2-methylprop-2-enoyloxy)pentanoate
SMILESC=C(C)C(=O)OC(C)C(C)(O)C(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H26O5/c1-9(2)12(16)19-11(4)15(8,18)10(3)13(17)20-14(5,6)7/h10-11,18H,1H2,2-8H3
InChIKeyOMIBPYYDWWDPGJ-UHFFFAOYSA-N
XLogP2.22
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hydroxy-2,3-dimethyl-4-(2-methylprop-2-enoyloxy)pentanoate?
The IUPAC name of tert-butyl 3-hydroxy-2,3-dimethyl-4-(2-methylprop-2-enoyloxy)pentanoate (CID 118501651) is tert-butyl 3-hydroxy-2,3-dimethyl-4-(2-methylprop-2-enoyloxy)pentanoate.
What is the SMILES notation for tert-butyl 3-hydroxy-2,3-dimethyl-4-(2-methylprop-2-enoyloxy)pentanoate?
The canonical SMILES for tert-butyl 3-hydroxy-2,3-dimethyl-4-(2-methylprop-2-enoyloxy)pentanoate is C=C(C)C(=O)OC(C)C(C)(O)C(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-hydroxy-2,3-dimethyl-4-(2-methylprop-2-enoyloxy)pentanoate?
The InChIKey is OMIBPYYDWWDPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5/c1-9(2)12(16)19-11(4)15(8,18)10(3)13(17)20-14(5,6)7/h10-11,18H,1H2,2-8H3.
What are the key properties of tert-butyl 3-hydroxy-2,3-dimethyl-4-(2-methylprop-2-enoyloxy)pentanoate?
tert-butyl 3-hydroxy-2,3-dimethyl-4-(2-methylprop-2-enoyloxy)pentanoate has a molecular weight of 286.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hydroxy-2,3-dimethyl-4-(2-methylprop-2-enoyloxy)pentanoate is sourced from PubChem (CID 118501651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).