3-hydroxypropyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;styrene

C22H32O5 — CID 67929040

IUPAC3-hydroxypropyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;styrene
SMILESC=C(C)C(=O)OCC(C)C.C=CC(=O)OCCCO.C=Cc1ccccc1
InChIInChI=1S/C8H14O2.C8H8.C6H10O3/c1-6(2)5-10-8(9)7(3)4;1-2-8-6-4-3-5-7-8;1-2-6(8)9-5-3-4-7/h6H,3,5H2,1-2,4H3;2-7H,1H2;2,7H,1,3-5H2
InChIKeyZVOADGBOZWRCNH-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.19
Rot. Bonds8

About 3-hydroxypropyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;styrene

3-hydroxypropyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;styrene (PubChem CID 67929040) has the molecular formula C22H32O5 and a molecular weight of 376.49 g/mol. Its IUPAC name is 3-hydroxypropyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;styrene.

Molecular Properties

Compound Name3-hydroxypropyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;styrene
PubChem CID67929040
Molecular FormulaC22H32O5
Molecular Weight376.49 g/mol
Exact Mass376.22
IUPAC Name3-hydroxypropyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;styrene
SMILESC=C(C)C(=O)OCC(C)C.C=CC(=O)OCCCO.C=Cc1ccccc1
InChIInChI=1S/C8H14O2.C8H8.C6H10O3/c1-6(2)5-10-8(9)7(3)4;1-2-8-6-4-3-5-7-8;1-2-6(8)9-5-3-4-7/h6H,3,5H2,1-2,4H3;2-7H,1H2;2,7H,1,3-5H2
InChIKeyZVOADGBOZWRCNH-UHFFFAOYSA-N
XLogP4.19
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

butyl 2-methylprop-2-enoate;butyl prop-2-enoate;3-hydroxypropyl prop-2-enoate;prop-2-enoic acid;styrene
CID 158235097
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene
CID 70469548
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;3-hydroxypropyl prop-2-enoate;styrene;2,4,4-trimethylpent-1-ene
CID 131724292
ethyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid;styrene
CID 6452558
2-hydroxyethyl prop-2-enoate;styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 174793037
prop-2-enyl 2-methylprop-2-enoate;prop-2-enyl prop-2-enoate;styrene
CID 68553077
butyl prop-2-enoate;ethenyl(trimethyl)silane;methyl 2-methylprop-2-enoate;styrene
CID 174489864
butyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;prop-2-enamide;styrene
CID 160851195
2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;styrene
CID 174493800
butyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;styrene
CID 66750102
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;octyl prop-2-enoate
CID 158734607
4-hydroxybutyl 2-methylprop-2-enoate;(2-hydroxy-3-phenoxypropyl) prop-2-enoate
CID 160827387

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;styrene?
The IUPAC name of 3-hydroxypropyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;styrene (CID 67929040) is 3-hydroxypropyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;styrene.
What is the SMILES notation for 3-hydroxypropyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;styrene?
The canonical SMILES for 3-hydroxypropyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;styrene is C=C(C)C(=O)OCC(C)C.C=CC(=O)OCCCO.C=Cc1ccccc1.
What is the InChIKey of 3-hydroxypropyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;styrene?
The InChIKey is ZVOADGBOZWRCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C8H8.C6H10O3/c1-6(2)5-10-8(9)7(3)4;1-2-8-6-4-3-5-7-8;1-2-6(8)9-5-3-4-7/h6H,3,5H2,1-2,4H3;2-7H,1H2;2,7H,1,3-5H2.
What are the key properties of 3-hydroxypropyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;styrene?
3-hydroxypropyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;styrene has a molecular weight of 376.49 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;styrene is sourced from PubChem (CID 67929040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).