tert-butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene

C21H30O5 — CID 70370105

IUPACtert-butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene
SMILESC=C(C)C(=O)OCCO.C=CC(=O)OC(C)(C)C.C=Cc1ccccc1
InChIInChI=1S/C8H8.C7H12O2.C6H10O3/c1-2-8-6-4-3-5-7-8;1-5-6(8)9-7(2,3)4;1-5(2)6(8)9-4-3-7/h2-7H,1H2;5H,1H2,2-4H3;7H,1,3-4H2,2H3
InChIKeyMIPQVQDMMPEXCR-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.94
Rot. Bonds5

About tert-butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene

tert-butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene (PubChem CID 70370105) has the molecular formula C21H30O5 and a molecular weight of 362.47 g/mol. Its IUPAC name is tert-butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene.

Molecular Properties

Compound Nametert-butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene
PubChem CID70370105
Molecular FormulaC21H30O5
Molecular Weight362.47 g/mol
Exact Mass362.21
IUPAC Nametert-butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene
SMILESC=C(C)C(=O)OCCO.C=CC(=O)OC(C)(C)C.C=Cc1ccccc1
InChIInChI=1S/C8H8.C7H12O2.C6H10O3/c1-2-8-6-4-3-5-7-8;1-5-6(8)9-7(2,3)4;1-5(2)6(8)9-4-3-7/h2-7H,1H2;5H,1H2,2-4H3;7H,1,3-4H2,2H3
InChIKeyMIPQVQDMMPEXCR-UHFFFAOYSA-N
XLogP3.94
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-methylprop-2-enoate;butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene
CID 70469548
2-hydroxyethyl prop-2-enoate;styrene;2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 174793037
2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;styrene
CID 174493800
ethyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid;styrene
CID 6452558
tert-butyl prop-2-enoate;prop-1-en-2-ylbenzene;styrene
CID 174427640
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;3-hydroxypropyl prop-2-enoate;prop-2-enoic acid;styrene
CID 158235097
benzoic acid;2-hydroxyethyl 2-methylprop-2-enoate
CID 160874005
2-(3-phenylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;styrene
CID 175223098
prop-2-enyl 2-methylprop-2-enoate;prop-2-enyl prop-2-enoate;styrene
CID 68553077
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;3-hydroxypropyl prop-2-enoate;styrene;2,4,4-trimethylpent-1-ene
CID 131724292
3-hydroxypropyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate;styrene
CID 67929040
ethylbenzene;2-hydroxyethyl prop-2-enoate;propyl 2-methylprop-2-enoate
CID 123212080

Frequently Asked Questions

What is the IUPAC name of tert-butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene?
The IUPAC name of tert-butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene (CID 70370105) is tert-butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene.
What is the SMILES notation for tert-butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene?
The canonical SMILES for tert-butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene is C=C(C)C(=O)OCCO.C=CC(=O)OC(C)(C)C.C=Cc1ccccc1.
What is the InChIKey of tert-butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene?
The InChIKey is MIPQVQDMMPEXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C7H12O2.C6H10O3/c1-2-8-6-4-3-5-7-8;1-5-6(8)9-7(2,3)4;1-5(2)6(8)9-4-3-7/h2-7H,1H2;5H,1H2,2-4H3;7H,1,3-4H2,2H3.
What are the key properties of tert-butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene?
tert-butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene has a molecular weight of 362.47 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene is sourced from PubChem (CID 70370105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).