2-hydroxyethyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate

C18H32O5 — CID 22757411

IUPAC2-hydroxyethyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCC.C=C(C)C(=O)OCCO
InChIInChI=1S/C12H22O2.C6H10O3/c1-4-5-6-7-8-9-10-14-12(13)11(2)3;1-5(2)6(8)9-4-3-7/h2,4-10H2,1,3H3;7H,1,3-4H2,2H3
InChIKeyFUJRSZIEFDRRLH-UHFFFAOYSA-N
MW328.45 g/mol
LogP3.56
Rot. Bonds11

About 2-hydroxyethyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate

2-hydroxyethyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate (PubChem CID 22757411) has the molecular formula C18H32O5 and a molecular weight of 328.45 g/mol. Its IUPAC name is 2-hydroxyethyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-hydroxyethyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate
PubChem CID22757411
Molecular FormulaC18H32O5
Molecular Weight328.45 g/mol
Exact Mass328.22
IUPAC Name2-hydroxyethyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCC.C=C(C)C(=O)OCCO
InChIInChI=1S/C12H22O2.C6H10O3/c1-4-5-6-7-8-9-10-14-12(13)11(2)3;1-5(2)6(8)9-4-3-7/h2,4-10H2,1,3H3;7H,1,3-4H2,2H3
InChIKeyFUJRSZIEFDRRLH-UHFFFAOYSA-N
XLogP3.56
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 53.56
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

butan-1-ol;heptyl 2-methylprop-2-enoate
CID 118690093
octatetracontyl 2-methylprop-2-enoate
CID 141233444
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
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
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
methane;nonyl 2-methylprop-2-enoate
CID 174847930
methane;tridecyl 2-methylprop-2-enoate
CID 174863529
butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
CID 19882000
2-hydroxyethyl prop-2-enoate;tridecyl 2-methylprop-2-enoate
CID 87841957
dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate
CID 87150170
12-octoxydodecyl 2-methylprop-2-enoate
CID 139797904
dodecyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 18508448

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate?
The IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate (CID 22757411) is 2-hydroxyethyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-hydroxyethyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate?
The canonical SMILES for 2-hydroxyethyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCC.C=C(C)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate?
The InChIKey is FUJRSZIEFDRRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2.C6H10O3/c1-4-5-6-7-8-9-10-14-12(13)11(2)3;1-5(2)6(8)9-4-3-7/h2,4-10H2,1,3H3;7H,1,3-4H2,2H3.
What are the key properties of 2-hydroxyethyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate?
2-hydroxyethyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate has a molecular weight of 328.45 g/mol, XLogP of 3.56, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate is sourced from PubChem (CID 22757411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).