decyl prop-2-enoate;dodecyl prop-2-enoate;3-methylbutyl prop-2-enoate;octadecyl prop-2-enoate;octyl prop-2-enoate

C68H126O10 — CID 175298158

IUPACdecyl prop-2-enoate;dodecyl prop-2-enoate;3-methylbutyl prop-2-enoate;octadecyl prop-2-enoate;octyl prop-2-enoate
SMILESC=CC(=O)OCCC(C)C.C=CC(=O)OCCCCCCCC.C=CC(=O)OCCCCCCCCCC.C=CC(=O)OCCCCCCCCCCCC.C=CC(=O)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C21H40O2.C15H28O2.C13H24O2.C11H20O2.C8H14O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2;1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2;1-3-5-6-7-8-9-10-11-12-15-13(14)4-2;1-3-5-6-7-8-9-10-13-11(12)4-2;1-4-8(9)10-6-5-7(2)3/h4H,2-3,5-20H2,1H3;4H,2-3,5-14H2,1H3;4H,2-3,5-12H2,1H3;4H,2-3,5-10H2,1H3;4,7H,1,5-6H2,2-3H3
InChIKeyRXWHTGLMXFMNGD-UHFFFAOYSA-N
MW1103.75 g/mol
LogP20.31
Rot. Bonds52

About decyl prop-2-enoate;dodecyl prop-2-enoate;3-methylbutyl prop-2-enoate;octadecyl prop-2-enoate;octyl prop-2-enoate

decyl prop-2-enoate;dodecyl prop-2-enoate;3-methylbutyl prop-2-enoate;octadecyl prop-2-enoate;octyl prop-2-enoate (PubChem CID 175298158) has the molecular formula C68H126O10 and a molecular weight of 1103.75 g/mol. Its IUPAC name is decyl prop-2-enoate;dodecyl prop-2-enoate;3-methylbutyl prop-2-enoate;octadecyl prop-2-enoate;octyl prop-2-enoate.

Molecular Properties

Compound Namedecyl prop-2-enoate;dodecyl prop-2-enoate;3-methylbutyl prop-2-enoate;octadecyl prop-2-enoate;octyl prop-2-enoate
PubChem CID175298158
Molecular FormulaC68H126O10
Molecular Weight1103.75 g/mol
Exact Mass1102.94
IUPAC Namedecyl prop-2-enoate;dodecyl prop-2-enoate;3-methylbutyl prop-2-enoate;octadecyl prop-2-enoate;octyl prop-2-enoate
SMILESC=CC(=O)OCCC(C)C.C=CC(=O)OCCCCCCCC.C=CC(=O)OCCCCCCCCCC.C=CC(=O)OCCCCCCCCCCCC.C=CC(=O)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C21H40O2.C15H28O2.C13H24O2.C11H20O2.C8H14O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2;1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2;1-3-5-6-7-8-9-10-11-12-15-13(14)4-2;1-3-5-6-7-8-9-10-13-11(12)4-2;1-4-8(9)10-6-5-7(2)3/h4H,2-3,5-20H2,1H3;4H,2-3,5-14H2,1H3;4H,2-3,5-12H2,1H3;4H,2-3,5-10H2,1H3;4,7H,1,5-6H2,2-3H3
InChIKeyRXWHTGLMXFMNGD-UHFFFAOYSA-N
XLogP20.31
TPSA131.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds52
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001103.75
LogP ≤ 520.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze decyl prop-2-enoate;dodecyl prop-2-enoate;3-methylbutyl prop-2-enoate;octadecyl prop-2-enoate;octyl prop-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

butyl prop-2-enoate;3-methylbutyl prop-2-enoate;2-methylpropyl prop-2-enoate;pentyl prop-2-enoate
CID 174806895
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
7-methyltridecyl prop-2-enoate
CID 139834261
6-methyltetradecyl prop-2-enoate
CID 87169125
azane;octyl prop-2-enoate
CID 175482602
hexadecyl prop-2-enoate;hydrofluoride
CID 159337716

Frequently Asked Questions

What is the IUPAC name of decyl prop-2-enoate;dodecyl prop-2-enoate;3-methylbutyl prop-2-enoate;octadecyl prop-2-enoate;octyl prop-2-enoate?
The IUPAC name of decyl prop-2-enoate;dodecyl prop-2-enoate;3-methylbutyl prop-2-enoate;octadecyl prop-2-enoate;octyl prop-2-enoate (CID 175298158) is decyl prop-2-enoate;dodecyl prop-2-enoate;3-methylbutyl prop-2-enoate;octadecyl prop-2-enoate;octyl prop-2-enoate.
What is the SMILES notation for decyl prop-2-enoate;dodecyl prop-2-enoate;3-methylbutyl prop-2-enoate;octadecyl prop-2-enoate;octyl prop-2-enoate?
The canonical SMILES for decyl prop-2-enoate;dodecyl prop-2-enoate;3-methylbutyl prop-2-enoate;octadecyl prop-2-enoate;octyl prop-2-enoate is C=CC(=O)OCCC(C)C.C=CC(=O)OCCCCCCCC.C=CC(=O)OCCCCCCCCCC.C=CC(=O)OCCCCCCCCCCCC.C=CC(=O)OCCCCCCCCCCCCCCCCCC.
What is the InChIKey of decyl prop-2-enoate;dodecyl prop-2-enoate;3-methylbutyl prop-2-enoate;octadecyl prop-2-enoate;octyl prop-2-enoate?
The InChIKey is RXWHTGLMXFMNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O2.C15H28O2.C13H24O2.C11H20O2.C8H14O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2;1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2;1-3-5-6-7-8-9-10-11-12-15-13(14)4-2;1-3-5-6-7-8-9-10-13-11(12)4-2;1-4-8(9)10-6-5-7(2)3/h4H,2-3,5-20H2,1H3;4H,2-3,5-14H2,1H3;4H,2-3,5-12H2,1H3;4H,2-3,5-10H2,1H3;4,7H,1,5-6H2,2-3H3.
What are the key properties of decyl prop-2-enoate;dodecyl prop-2-enoate;3-methylbutyl prop-2-enoate;octadecyl prop-2-enoate;octyl prop-2-enoate?
decyl prop-2-enoate;dodecyl prop-2-enoate;3-methylbutyl prop-2-enoate;octadecyl prop-2-enoate;octyl prop-2-enoate has a molecular weight of 1103.75 g/mol, XLogP of 20.31, 52 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for decyl prop-2-enoate;dodecyl prop-2-enoate;3-methylbutyl prop-2-enoate;octadecyl prop-2-enoate;octyl prop-2-enoate is sourced from PubChem (CID 175298158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).