(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate

C8H14O4 — CID 15315335

IUPAC(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)COC
InChIInChI=1S/C8H14O4/c1-6(2)8(10)12-5-7(9)4-11-3/h7,9H,1,4-5H2,2-3H3
InChIKeyBMCVSUCDMJFKSZ-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.11
Rot. Bonds5

About (2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate

(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate (PubChem CID 15315335) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
PubChem CID15315335
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)COC
InChIInChI=1S/C8H14O4/c1-6(2)8(10)12-5-7(9)4-11-3/h7,9H,1,4-5H2,2-3H3
InChIKeyBMCVSUCDMJFKSZ-UHFFFAOYSA-N
XLogP0.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxy-3-methoxycarbonyloxypropyl) 2-methylprop-2-enoate
CID 139917348
[2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]ethoxy]ethoxy]propyl] 2-methylprop-2-enoate
CID 12800792
[3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate
CID 58701380
[3-hydroxy-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428981
(2-hydroxy-3-propanoyloxypropyl) 2-methylprop-2-enoate
CID 20746567
4-O-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 1-O-methyl butanedioate
CID 89001607
(4-amino-2-hydroxy-4-oxobutyl) 2-methylprop-2-enoate
CID 87605994
2,3-dihydroxypropyl 2-methylprop-2-enoate;propane
CID 87556862
bis[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] (E)-hex-3-enedioate
CID 20697152
methyl 4-hydroxy-2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate
CID 174987309
1-O-[2-hydroxy-4-(2-methylprop-2-enoyloxy)butyl] 4-O-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] butanedioate
CID 170691807
hexane-1,6-diol;[2-hydroxy-3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]propyl] 2-methylprop-2-enoate
CID 87523431

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate?
The IUPAC name of (2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate (CID 15315335) is (2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate?
The canonical SMILES for (2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)COC.
What is the InChIKey of (2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate?
The InChIKey is BMCVSUCDMJFKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-6(2)8(10)12-5-7(9)4-11-3/h7,9H,1,4-5H2,2-3H3.
What are the key properties of (2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate?
(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate has a molecular weight of 174.20 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate is sourced from PubChem (CID 15315335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).