butyl 2-methylprop-2-enoate;1-(diethylamino)ethyl 2-methylprop-2-enoate;1-hydroxyethyl 2-methylprop-2-enoate

C24H43NO7 — CID 88730169

IUPACbutyl 2-methylprop-2-enoate;1-(diethylamino)ethyl 2-methylprop-2-enoate;1-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)N(CC)CC.C=C(C)C(=O)OC(C)O.C=C(C)C(=O)OCCCC
InChIInChI=1S/C10H19NO2.C8H14O2.C6H10O3/c1-6-11(7-2)9(5)13-10(12)8(3)4;1-4-5-6-10-8(9)7(2)3;1-4(2)6(8)9-5(3)7/h9H,3,6-7H2,1-2,4-5H3;2,4-6H2,1,3H3;5,7H,1H2,2-3H3
InChIKeyOLTYBTHUSCHUBT-UHFFFAOYSA-N
MW457.61 g/mol
LogP4.14
Rot. Bonds11

About butyl 2-methylprop-2-enoate;1-(diethylamino)ethyl 2-methylprop-2-enoate;1-hydroxyethyl 2-methylprop-2-enoate

butyl 2-methylprop-2-enoate;1-(diethylamino)ethyl 2-methylprop-2-enoate;1-hydroxyethyl 2-methylprop-2-enoate (PubChem CID 88730169) has the molecular formula C24H43NO7 and a molecular weight of 457.61 g/mol. Its IUPAC name is butyl 2-methylprop-2-enoate;1-(diethylamino)ethyl 2-methylprop-2-enoate;1-hydroxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namebutyl 2-methylprop-2-enoate;1-(diethylamino)ethyl 2-methylprop-2-enoate;1-hydroxyethyl 2-methylprop-2-enoate
PubChem CID88730169
Molecular FormulaC24H43NO7
Molecular Weight457.61 g/mol
Exact Mass457.30
IUPAC Namebutyl 2-methylprop-2-enoate;1-(diethylamino)ethyl 2-methylprop-2-enoate;1-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)N(CC)CC.C=C(C)C(=O)OC(C)O.C=C(C)C(=O)OCCCC
InChIInChI=1S/C10H19NO2.C8H14O2.C6H10O3/c1-6-11(7-2)9(5)13-10(12)8(3)4;1-4-5-6-10-8(9)7(2)3;1-4(2)6(8)9-5(3)7/h9H,3,6-7H2,1-2,4-5H3;2,4-6H2,1,3H3;5,7H,1H2,2-3H3
InChIKeyOLTYBTHUSCHUBT-UHFFFAOYSA-N
XLogP4.14
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.61
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

butyl 2-methylprop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 20503506
butyl 2-methylprop-2-enoate;methane
CID 159646333
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
butyl 2-methylprop-2-enoate;ethene
CID 158758814
(1-butoxy-1-oxopropan-2-yl) 2-methylprop-2-enoate
CID 58027740
butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
CID 19882000
butyl 2-methylprop-2-enoate;carbamic acid
CID 174813698
4-ethyloctyl 2-methylprop-2-enoate
CID 57022473
butyl 2-methylprop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate
CID 88636576
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
octatetracontyl 2-methylprop-2-enoate
CID 141233444

Frequently Asked Questions

What is the IUPAC name of butyl 2-methylprop-2-enoate;1-(diethylamino)ethyl 2-methylprop-2-enoate;1-hydroxyethyl 2-methylprop-2-enoate?
The IUPAC name of butyl 2-methylprop-2-enoate;1-(diethylamino)ethyl 2-methylprop-2-enoate;1-hydroxyethyl 2-methylprop-2-enoate (CID 88730169) is butyl 2-methylprop-2-enoate;1-(diethylamino)ethyl 2-methylprop-2-enoate;1-hydroxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for butyl 2-methylprop-2-enoate;1-(diethylamino)ethyl 2-methylprop-2-enoate;1-hydroxyethyl 2-methylprop-2-enoate?
The canonical SMILES for butyl 2-methylprop-2-enoate;1-(diethylamino)ethyl 2-methylprop-2-enoate;1-hydroxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)N(CC)CC.C=C(C)C(=O)OC(C)O.C=C(C)C(=O)OCCCC.
What is the InChIKey of butyl 2-methylprop-2-enoate;1-(diethylamino)ethyl 2-methylprop-2-enoate;1-hydroxyethyl 2-methylprop-2-enoate?
The InChIKey is OLTYBTHUSCHUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C8H14O2.C6H10O3/c1-6-11(7-2)9(5)13-10(12)8(3)4;1-4-5-6-10-8(9)7(2)3;1-4(2)6(8)9-5(3)7/h9H,3,6-7H2,1-2,4-5H3;2,4-6H2,1,3H3;5,7H,1H2,2-3H3.
What are the key properties of butyl 2-methylprop-2-enoate;1-(diethylamino)ethyl 2-methylprop-2-enoate;1-hydroxyethyl 2-methylprop-2-enoate?
butyl 2-methylprop-2-enoate;1-(diethylamino)ethyl 2-methylprop-2-enoate;1-hydroxyethyl 2-methylprop-2-enoate has a molecular weight of 457.61 g/mol, XLogP of 4.14, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-methylprop-2-enoate;1-(diethylamino)ethyl 2-methylprop-2-enoate;1-hydroxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 88730169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).