4-ethyloctyl 2-methylprop-2-enoate

C14H26O2 — CID 57022473

IUPAC4-ethyloctyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC(CC)CCCC
InChIInChI=1S/C14H26O2/c1-5-7-9-13(6-2)10-8-11-16-14(15)12(3)4/h13H,3,5-11H2,1-2,4H3
InChIKeySLTCSUJZJPQJEX-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.10
Rot. Bonds9

About 4-ethyloctyl 2-methylprop-2-enoate

4-ethyloctyl 2-methylprop-2-enoate (PubChem CID 57022473) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-ethyloctyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-ethyloctyl 2-methylprop-2-enoate
PubChem CID57022473
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name4-ethyloctyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC(CC)CCCC
InChIInChI=1S/C14H26O2/c1-5-7-9-13(6-2)10-8-11-16-14(15)12(3)4/h13H,3,5-11H2,1-2,4H3
InChIKeySLTCSUJZJPQJEX-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

5-ethyloctadecyl 2-methylprop-2-enoate
CID 87137443
[7-ethyl-10-(2-methylprop-2-enoyloxy)decyl] 2-methylprop-2-enoate
CID 155725182
[(2S)-2-ethylhexyl] 2-methylprop-2-enoate
CID 6993188
[3-ethyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 87650049
3-butylhexadecyl 2-methylprop-2-enoate
CID 140601631
8-propyltetradecyl 2-methylprop-2-enoate
CID 156690480
2-[bis(2-ethylhexoxy)phosphoryloxy]ethyl 2-methylprop-2-enoate
CID 139937953
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
2-ethylhexyl prop-2-enoate;hexyl 2-methylprop-2-enoate
CID 88669933
tributyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanium
CID 20776618

Frequently Asked Questions

What is the IUPAC name of 4-ethyloctyl 2-methylprop-2-enoate?
The IUPAC name of 4-ethyloctyl 2-methylprop-2-enoate (CID 57022473) is 4-ethyloctyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-ethyloctyl 2-methylprop-2-enoate?
The canonical SMILES for 4-ethyloctyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCC(CC)CCCC.
What is the InChIKey of 4-ethyloctyl 2-methylprop-2-enoate?
The InChIKey is SLTCSUJZJPQJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-5-7-9-13(6-2)10-8-11-16-14(15)12(3)4/h13H,3,5-11H2,1-2,4H3.
What are the key properties of 4-ethyloctyl 2-methylprop-2-enoate?
4-ethyloctyl 2-methylprop-2-enoate has a molecular weight of 226.36 g/mol, XLogP of 4.10, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyloctyl 2-methylprop-2-enoate is sourced from PubChem (CID 57022473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).