8-ethyldodecan-6-yl 2-methylprop-2-enoate

C18H34O2 — CID 18995565

IUPAC8-ethyldodecan-6-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCCCC)CC(CC)CCCC
InChIInChI=1S/C18H34O2/c1-6-9-11-13-17(20-18(19)15(4)5)14-16(8-3)12-10-7-2/h16-17H,4,6-14H2,1-3,5H3
InChIKeyKAZQNAOIFPRNTI-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.66
Rot. Bonds12

About 8-ethyldodecan-6-yl 2-methylprop-2-enoate

8-ethyldodecan-6-yl 2-methylprop-2-enoate (PubChem CID 18995565) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 8-ethyldodecan-6-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name8-ethyldodecan-6-yl 2-methylprop-2-enoate
PubChem CID18995565
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name8-ethyldodecan-6-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCCCC)CC(CC)CCCC
InChIInChI=1S/C18H34O2/c1-6-9-11-13-17(20-18(19)15(4)5)14-16(8-3)12-10-7-2/h16-17H,4,6-14H2,1-3,5H3
InChIKeyKAZQNAOIFPRNTI-UHFFFAOYSA-N
XLogP5.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.66
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'}

Analyze 8-ethyldodecan-6-yl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

undecan-5-yl 2-methylprop-2-enoate
CID 87158130
tridecan-5-yl 2-methylprop-2-enoate
CID 164546460
pentacosan-13-yl 2-methylprop-2-enoate
CID 54141631
(4-ethyl-1-phosphonooxyoctan-2-yl) 2-methylprop-2-enoate
CID 90186290
2-methylprop-2-enoic acid;octan-3-yl 2-methylprop-2-enoate
CID 158425765
decan-4-yl 2-methylprop-2-enoate
CID 22149421
hexadecan-4-yl 2-methylprop-2-enoate
CID 172709828
5-ethylhexadecan-7-yl prop-2-enoate
CID 150115534
2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate
CID 87149420
[(2S)-2-ethylhexyl] 2-methylprop-2-enoate
CID 6993188
1-acetyloxyoctan-4-yl 2-methylprop-2-enoate
CID 87065567
5-ethyloctadecyl 2-methylprop-2-enoate
CID 87137443

Frequently Asked Questions

What is the IUPAC name of 8-ethyldodecan-6-yl 2-methylprop-2-enoate?
The IUPAC name of 8-ethyldodecan-6-yl 2-methylprop-2-enoate (CID 18995565) is 8-ethyldodecan-6-yl 2-methylprop-2-enoate.
What is the SMILES notation for 8-ethyldodecan-6-yl 2-methylprop-2-enoate?
The canonical SMILES for 8-ethyldodecan-6-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CCCCC)CC(CC)CCCC.
What is the InChIKey of 8-ethyldodecan-6-yl 2-methylprop-2-enoate?
The InChIKey is KAZQNAOIFPRNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-6-9-11-13-17(20-18(19)15(4)5)14-16(8-3)12-10-7-2/h16-17H,4,6-14H2,1-3,5H3.
What are the key properties of 8-ethyldodecan-6-yl 2-methylprop-2-enoate?
8-ethyldodecan-6-yl 2-methylprop-2-enoate has a molecular weight of 282.47 g/mol, XLogP of 5.66, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyldodecan-6-yl 2-methylprop-2-enoate is sourced from PubChem (CID 18995565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).