2-methylpropyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate

C11H20O3 — CID 141112568

IUPAC2-methylpropyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate
SMILESCC(C)COC(=O)C=COC(C)(C)C
InChIInChI=1S/C11H20O3/c1-9(2)8-13-10(12)6-7-14-11(3,4)5/h6-7,9H,8H2,1-5H3
InChIKeyHPFOAZQYURJZJI-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.51
Rot. Bonds4

About 2-methylpropyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate

2-methylpropyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate (PubChem CID 141112568) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-methylpropyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate.

Molecular Properties

Compound Name2-methylpropyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate
PubChem CID141112568
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-methylpropyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate
SMILESCC(C)COC(=O)C=COC(C)(C)C
InChIInChI=1S/C11H20O3/c1-9(2)8-13-10(12)6-7-14-11(3,4)5/h6-7,9H,8H2,1-5H3
InChIKeyHPFOAZQYURJZJI-UHFFFAOYSA-N
XLogP2.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylpropyl 3-methoxyprop-2-enoate
CID 74018999
2-methylpropyl (E)-3-(2-methylpropoxy)prop-2-enoate
CID 22463383
tert-butyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate
CID 74018986
cadmium(2+);bis((Z)-4-(2-methylpropoxy)-4-oxobut-2-enoate)
CID 102058822
1-O-(2-methylpropyl) 4-O-pentan-3-yl (E)-but-2-enedioate
CID 91721922
1-O-(3-methylbut-2-enyl) 4-O-(2-methylpropyl) (E)-but-2-enedioate
CID 91701339
4-O-(2-methylpropyl) 1-O-pentyl (E)-but-2-enedioate
CID 91725313
bis(2-hydroxy-5-methylhexyl) (E)-but-2-enedioate
CID 88505446
1-O-[(E)-hex-3-enyl] 4-O-(2-methylpropyl) (E)-but-2-enedioate
CID 91697840
1-O-dodecyl 4-O-(2-methylpropyl) (E)-but-2-enedioate
CID 91693464
2-methylpropyl (E)-3-cycloheptylprop-2-enoate
CID 11629960
methyl 3-methylbutanoate;2-methylpropyl (E)-but-2-enoate
CID 118610239

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate?
The IUPAC name of 2-methylpropyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate (CID 141112568) is 2-methylpropyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate.
What is the SMILES notation for 2-methylpropyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate?
The canonical SMILES for 2-methylpropyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate is CC(C)COC(=O)C=COC(C)(C)C.
What is the InChIKey of 2-methylpropyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate?
The InChIKey is HPFOAZQYURJZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-9(2)8-13-10(12)6-7-14-11(3,4)5/h6-7,9H,8H2,1-5H3.
What are the key properties of 2-methylpropyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate?
2-methylpropyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate has a molecular weight of 200.28 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate is sourced from PubChem (CID 141112568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).