(6-hydroxy-2-methylhexyl) 2-methylprop-2-enoate

C11H20O3 — CID 139797896

IUPAC(6-hydroxy-2-methylhexyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)CCCCO
InChIInChI=1S/C11H20O3/c1-9(2)11(13)14-8-10(3)6-4-5-7-12/h10,12H,1,4-8H2,2-3H3
InChIKeyIVZYBWFCGJGBEG-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.90
Rot. Bonds7

About (6-hydroxy-2-methylhexyl) 2-methylprop-2-enoate

(6-hydroxy-2-methylhexyl) 2-methylprop-2-enoate (PubChem CID 139797896) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (6-hydroxy-2-methylhexyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(6-hydroxy-2-methylhexyl) 2-methylprop-2-enoate
PubChem CID139797896
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(6-hydroxy-2-methylhexyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)CCCCO
InChIInChI=1S/C11H20O3/c1-9(2)11(13)14-8-10(3)6-4-5-7-12/h10,12H,1,4-8H2,2-3H3
InChIKeyIVZYBWFCGJGBEG-UHFFFAOYSA-N
XLogP1.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2,7,9-trimethyl-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate
CID 175542458
butane-1,4-diol;2-hydroxypropyl 2-methylprop-2-enoate
CID 87278867
(2-ethyl-6-hydroxyhexyl) 2-methylprop-2-enoate
CID 87140924
ethane;(3-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
CID 171797944
2-methylheptyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 158597843
hexane-1,6-diol;[2-hydroxy-3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]propyl] 2-methylprop-2-enoate
CID 87523431
butane-1,4-diol;2-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 122641854
[12-methyl-2-(8-methylnonyl)tridecyl] 2-methylprop-2-enoate
CID 140900809
hexane-1,6-diol;9-(2-methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 90169594
4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 87803089
bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate
CID 173326702
[2,5-dimethyl-4-(2-methylprop-2-enoyloxymethyl)hexyl] 2-methylprop-2-enoate
CID 139804222

Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-2-methylhexyl) 2-methylprop-2-enoate?
The IUPAC name of (6-hydroxy-2-methylhexyl) 2-methylprop-2-enoate (CID 139797896) is (6-hydroxy-2-methylhexyl) 2-methylprop-2-enoate.
What is the SMILES notation for (6-hydroxy-2-methylhexyl) 2-methylprop-2-enoate?
The canonical SMILES for (6-hydroxy-2-methylhexyl) 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)CCCCO.
What is the InChIKey of (6-hydroxy-2-methylhexyl) 2-methylprop-2-enoate?
The InChIKey is IVZYBWFCGJGBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-9(2)11(13)14-8-10(3)6-4-5-7-12/h10,12H,1,4-8H2,2-3H3.
What are the key properties of (6-hydroxy-2-methylhexyl) 2-methylprop-2-enoate?
(6-hydroxy-2-methylhexyl) 2-methylprop-2-enoate has a molecular weight of 200.28 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-2-methylhexyl) 2-methylprop-2-enoate is sourced from PubChem (CID 139797896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).