(2-ethyl-2-methyloctyl) prop-2-enoate

C14H26O2 — CID 129132567

IUPAC(2-ethyl-2-methyloctyl) prop-2-enoate
SMILESC=CC(=O)OCC(C)(CC)CCCCCC
InChIInChI=1S/C14H26O2/c1-5-8-9-10-11-14(4,7-3)12-16-13(15)6-2/h6H,2,5,7-12H2,1,3-4H3
InChIKeyJNHZEGOTICWJRZ-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.10
Rot. Bonds9

About (2-ethyl-2-methyloctyl) prop-2-enoate

(2-ethyl-2-methyloctyl) prop-2-enoate (PubChem CID 129132567) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (2-ethyl-2-methyloctyl) prop-2-enoate.

Molecular Properties

Compound Name(2-ethyl-2-methyloctyl) prop-2-enoate
PubChem CID129132567
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(2-ethyl-2-methyloctyl) prop-2-enoate
SMILESC=CC(=O)OCC(C)(CC)CCCCCC
InChIInChI=1S/C14H26O2/c1-5-8-9-10-11-14(4,7-3)12-16-13(15)6-2/h6H,2,5,7-12H2,1,3-4H3
InChIKeyJNHZEGOTICWJRZ-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

[2-methyl-2-(octylamino)propyl] prop-2-enoate
CID 89156763
(3-ethyl-4,4-dimethyldecan-3-yl) prop-2-enoate
CID 164546468
(2-methyl-2-octyldodecyl) acetate
CID 138503914
(2-ethyl-2-methylhexyl) acetate
CID 90020501
bis[2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] heptanedioate
CID 170682322
pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2-methyloctyl) prop-2-enoate?
The IUPAC name of (2-ethyl-2-methyloctyl) prop-2-enoate (CID 129132567) is (2-ethyl-2-methyloctyl) prop-2-enoate.
What is the SMILES notation for (2-ethyl-2-methyloctyl) prop-2-enoate?
The canonical SMILES for (2-ethyl-2-methyloctyl) prop-2-enoate is C=CC(=O)OCC(C)(CC)CCCCCC.
What is the InChIKey of (2-ethyl-2-methyloctyl) prop-2-enoate?
The InChIKey is JNHZEGOTICWJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-5-8-9-10-11-14(4,7-3)12-16-13(15)6-2/h6H,2,5,7-12H2,1,3-4H3.
What are the key properties of (2-ethyl-2-methyloctyl) prop-2-enoate?
(2-ethyl-2-methyloctyl) prop-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 (2-ethyl-2-methyloctyl) prop-2-enoate is sourced from PubChem (CID 129132567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).