[3-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypropyl] 2-methylprop-2-enoate

C14H26O4 — CID 89076649

IUPAC[3-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(COC(C)(C)C)OC(C)C
InChIInChI=1S/C14H26O4/c1-10(2)13(15)16-8-12(18-11(3)4)9-17-14(5,6)7/h11-12H,1,8-9H2,2-7H3
InChIKeyBSFIJPVLFYCOPM-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.71
Rot. Bonds7

About [3-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypropyl] 2-methylprop-2-enoate

[3-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypropyl] 2-methylprop-2-enoate (PubChem CID 89076649) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is [3-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypropyl] 2-methylprop-2-enoate
PubChem CID89076649
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name[3-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(COC(C)(C)C)OC(C)C
InChIInChI=1S/C14H26O4/c1-10(2)13(15)16-8-12(18-11(3)4)9-17-14(5,6)7/h11-12H,1,8-9H2,2-7H3
InChIKeyBSFIJPVLFYCOPM-UHFFFAOYSA-N
XLogP2.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-propan-2-yloxyethoxy)ethyl 2-methylprop-2-enoate
CID 15529247
2,3-dimethylbutyl 2-methylprop-2-enoate
CID 18361655
2,3-diacetyloxypropyl 2-methylprop-2-enoate
CID 18979747
2-(2-methylprop-2-enoxy)butyl 2-methylprop-2-enoate
CID 153321870
2,3-dihydroxybutyl 2-methylprop-2-enoate
CID 22149440
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 18762108
14-[(2-methylpropan-2-yl)oxy]tetradecyl 2-methylprop-2-enoate
CID 166506035
5-[(2-methylpropan-2-yl)oxy]pentyl 2-methylprop-2-enoate
CID 167430528
1-fluoroethoxymethyl 2-methylprop-2-enoate
CID 59816439
[3-hydroxy-2-methyl-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428941
2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 87196210
ethane;2-methanidylpropyl 2-methylprop-2-enoate;tungsten(2+)
CID 20605307

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypropyl] 2-methylprop-2-enoate?
The IUPAC name of [3-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypropyl] 2-methylprop-2-enoate (CID 89076649) is [3-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypropyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypropyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypropyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(COC(C)(C)C)OC(C)C.
What is the InChIKey of [3-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypropyl] 2-methylprop-2-enoate?
The InChIKey is BSFIJPVLFYCOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-10(2)13(15)16-8-12(18-11(3)4)9-17-14(5,6)7/h11-12H,1,8-9H2,2-7H3.
What are the key properties of [3-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypropyl] 2-methylprop-2-enoate?
[3-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypropyl] 2-methylprop-2-enoate has a molecular weight of 258.36 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylpropan-2-yl)oxy]-2-propan-2-yloxypropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 89076649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).