(1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate

C8H14O3 — CID 54304297

IUPAC(1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(O)C(C)C
InChIInChI=1S/C8H14O3/c1-5(2)7(9)11-8(10)6(3)4/h6,8,10H,1H2,2-4H3
InChIKeySGKNPYKCCQCHAE-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.08
Rot. Bonds3

About (1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate

(1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate (PubChem CID 54304297) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
PubChem CID54304297
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(O)C(C)C
InChIInChI=1S/C8H14O3/c1-5(2)7(9)11-8(10)6(3)4/h6,8,10H,1H2,2-4H3
InChIKeySGKNPYKCCQCHAE-UHFFFAOYSA-N
XLogP1.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 2-methylprop-2-enoate
CID 146421311
(1-hydroxy-2-methylpropyl) 2-chloroprop-2-enoate
CID 87235484
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
1,2,3-trihydroxypropyl 2-methylprop-2-enoate
CID 21401083
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
(1-hydroxy-2-methylhexyl) 2-methylprop-2-enoate
CID 23431556
(2,5-dimethyl-4-propan-2-ylhexan-3-yl) 2-methylprop-2-enoate
CID 154996770
1,2,4-trihydroxybutyl 2-methylprop-2-enoate
CID 22605120
1-acetyloxyethyl 2-methylprop-2-enoate
CID 18517368
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium
CID 154142538
diaminomethyl 2-methylprop-2-enoate
CID 18522879

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate?
The IUPAC name of (1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate (CID 54304297) is (1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate.
What is the SMILES notation for (1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate?
The canonical SMILES for (1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(O)C(C)C.
What is the InChIKey of (1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate?
The InChIKey is SGKNPYKCCQCHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-5(2)7(9)11-8(10)6(3)4/h6,8,10H,1H2,2-4H3.
What are the key properties of (1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate?
(1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate has a molecular weight of 158.20 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate is sourced from PubChem (CID 54304297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).