decyl prop-2-enoate;dodecyl prop-2-enoate;nonacosyl 2-methylprop-2-enoate;nonyl prop-2-enoate;octacosyl 2-methylprop-2-enoate;triacontyl 2-methylprop-2-enoate;undecyl prop-2-enoate

C153H292O14 — CID 158639782

IUPACdecyl prop-2-enoate;dodecyl prop-2-enoate;nonacosyl 2-methylprop-2-enoate;nonyl prop-2-enoate;octacosyl 2-methylprop-2-enoate;triacontyl 2-methylprop-2-enoate;undecyl prop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.C=CC(=O)OCCCCCCCCC.C=CC(=O)OCCCCCCCCCC.C=CC(=O)OCCCCCCCCCCC.C=CC(=O)OCCCCCCCCCCCC
InChIInChI=1S/C34H66O2.C33H64O2.C32H62O2.C15H28O2.C14H26O2.C13H24O2.C12H22O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-36-34(35)33(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-35-33(34)32(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34-32(33)31(2)3;1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2;1-3-5-6-7-8-9-10-11-12-13-16-14(15)4-2;1-3-5-6-7-8-9-10-11-12-15-13(14)4-2;1-3-5-6-7-8-9-10-11-14-12(13)4-2/h2,4-32H2,1,3H3;2,4-31H2,1,3H3;2,4-30H2,1,3H3;4H,2-3,5-14H2,1H3;4H,2-3,5-13H2,1H3;4H,2-3,5-12H2,1H3;4H,2-3,5-11H2,1H3
InChIKeyIAFSAQGTVOLAKD-UHFFFAOYSA-N
MW2356.00 g/mol
LogP51.18
Rot. Bonds129

About decyl prop-2-enoate;dodecyl prop-2-enoate;nonacosyl 2-methylprop-2-enoate;nonyl prop-2-enoate;octacosyl 2-methylprop-2-enoate;triacontyl 2-methylprop-2-enoate;undecyl prop-2-enoate

decyl prop-2-enoate;dodecyl prop-2-enoate;nonacosyl 2-methylprop-2-enoate;nonyl prop-2-enoate;octacosyl 2-methylprop-2-enoate;triacontyl 2-methylprop-2-enoate;undecyl prop-2-enoate (PubChem CID 158639782) has the molecular formula C153H292O14 and a molecular weight of 2356.00 g/mol. Its IUPAC name is decyl prop-2-enoate;dodecyl prop-2-enoate;nonacosyl 2-methylprop-2-enoate;nonyl prop-2-enoate;octacosyl 2-methylprop-2-enoate;triacontyl 2-methylprop-2-enoate;undecyl prop-2-enoate.

Molecular Properties

Compound Namedecyl prop-2-enoate;dodecyl prop-2-enoate;nonacosyl 2-methylprop-2-enoate;nonyl prop-2-enoate;octacosyl 2-methylprop-2-enoate;triacontyl 2-methylprop-2-enoate;undecyl prop-2-enoate
PubChem CID158639782
Molecular FormulaC153H292O14
Molecular Weight2356.00 g/mol
Exact Mass2354.21
IUPAC Namedecyl prop-2-enoate;dodecyl prop-2-enoate;nonacosyl 2-methylprop-2-enoate;nonyl prop-2-enoate;octacosyl 2-methylprop-2-enoate;triacontyl 2-methylprop-2-enoate;undecyl prop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.C=CC(=O)OCCCCCCCCC.C=CC(=O)OCCCCCCCCCC.C=CC(=O)OCCCCCCCCCCC.C=CC(=O)OCCCCCCCCCCCC
InChIInChI=1S/C34H66O2.C33H64O2.C32H62O2.C15H28O2.C14H26O2.C13H24O2.C12H22O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-36-34(35)33(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-35-33(34)32(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34-32(33)31(2)3;1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2;1-3-5-6-7-8-9-10-11-12-13-16-14(15)4-2;1-3-5-6-7-8-9-10-11-12-15-13(14)4-2;1-3-5-6-7-8-9-10-11-14-12(13)4-2/h2,4-32H2,1,3H3;2,4-31H2,1,3H3;2,4-30H2,1,3H3;4H,2-3,5-14H2,1H3;4H,2-3,5-13H2,1H3;4H,2-3,5-12H2,1H3;4H,2-3,5-11H2,1H3
InChIKeyIAFSAQGTVOLAKD-UHFFFAOYSA-N
XLogP51.18
TPSA184.10 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds129
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002356.00
LogP ≤ 551.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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;nonacosyl 2-methylprop-2-enoate;nonyl prop-2-enoate;octacosyl 2-methylprop-2-enoate;triacontyl 2-methylprop-2-enoate;undecyl prop-2-enoate with MolForge

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Related Compounds

octadecyl prop-2-enoate;tridecyl 2-methylprop-2-enoate
CID 157275770
butyl 2-methylprop-2-enoate;octadecyl prop-2-enoate
CID 87991734
2-hydroxyethyl prop-2-enoate;tridecyl 2-methylprop-2-enoate
CID 87841957
butyl prop-2-enoate;methyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate
CID 158889413
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;9-prop-2-enoyloxynonyl prop-2-enoate
CID 160866067
10-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate;10-prop-2-enoyloxydecyl prop-2-enoate;12-prop-2-enoyloxydodecyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162183490
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;nonyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 160761810
pentatriacontyl prop-2-enoate
CID 141309454
decyl prop-2-enoate
CID 162172023
octatetracontyl 2-methylprop-2-enoate
CID 141233444
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650

Frequently Asked Questions

What is the IUPAC name of decyl prop-2-enoate;dodecyl prop-2-enoate;nonacosyl 2-methylprop-2-enoate;nonyl prop-2-enoate;octacosyl 2-methylprop-2-enoate;triacontyl 2-methylprop-2-enoate;undecyl prop-2-enoate?
The IUPAC name of decyl prop-2-enoate;dodecyl prop-2-enoate;nonacosyl 2-methylprop-2-enoate;nonyl prop-2-enoate;octacosyl 2-methylprop-2-enoate;triacontyl 2-methylprop-2-enoate;undecyl prop-2-enoate (CID 158639782) is decyl prop-2-enoate;dodecyl prop-2-enoate;nonacosyl 2-methylprop-2-enoate;nonyl prop-2-enoate;octacosyl 2-methylprop-2-enoate;triacontyl 2-methylprop-2-enoate;undecyl prop-2-enoate.
What is the SMILES notation for decyl prop-2-enoate;dodecyl prop-2-enoate;nonacosyl 2-methylprop-2-enoate;nonyl prop-2-enoate;octacosyl 2-methylprop-2-enoate;triacontyl 2-methylprop-2-enoate;undecyl prop-2-enoate?
The canonical SMILES for decyl prop-2-enoate;dodecyl prop-2-enoate;nonacosyl 2-methylprop-2-enoate;nonyl prop-2-enoate;octacosyl 2-methylprop-2-enoate;triacontyl 2-methylprop-2-enoate;undecyl prop-2-enoate is C=C(C)C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.C=CC(=O)OCCCCCCCCC.C=CC(=O)OCCCCCCCCCC.C=CC(=O)OCCCCCCCCCCC.C=CC(=O)OCCCCCCCCCCCC.
What is the InChIKey of decyl prop-2-enoate;dodecyl prop-2-enoate;nonacosyl 2-methylprop-2-enoate;nonyl prop-2-enoate;octacosyl 2-methylprop-2-enoate;triacontyl 2-methylprop-2-enoate;undecyl prop-2-enoate?
The InChIKey is IAFSAQGTVOLAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H66O2.C33H64O2.C32H62O2.C15H28O2.C14H26O2.C13H24O2.C12H22O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-36-34(35)33(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-35-33(34)32(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34-32(33)31(2)3;1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2;1-3-5-6-7-8-9-10-11-12-13-16-14(15)4-2;1-3-5-6-7-8-9-10-11-12-15-13(14)4-2;1-3-5-6-7-8-9-10-11-14-12(13)4-2/h2,4-32H2,1,3H3;2,4-31H2,1,3H3;2,4-30H2,1,3H3;4H,2-3,5-14H2,1H3;4H,2-3,5-13H2,1H3;4H,2-3,5-12H2,1H3;4H,2-3,5-11H2,1H3.
What are the key properties of decyl prop-2-enoate;dodecyl prop-2-enoate;nonacosyl 2-methylprop-2-enoate;nonyl prop-2-enoate;octacosyl 2-methylprop-2-enoate;triacontyl 2-methylprop-2-enoate;undecyl prop-2-enoate?
decyl prop-2-enoate;dodecyl prop-2-enoate;nonacosyl 2-methylprop-2-enoate;nonyl prop-2-enoate;octacosyl 2-methylprop-2-enoate;triacontyl 2-methylprop-2-enoate;undecyl prop-2-enoate has a molecular weight of 2356.00 g/mol, XLogP of 51.18, 129 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for decyl prop-2-enoate;dodecyl prop-2-enoate;nonacosyl 2-methylprop-2-enoate;nonyl prop-2-enoate;octacosyl 2-methylprop-2-enoate;triacontyl 2-methylprop-2-enoate;undecyl prop-2-enoate is sourced from PubChem (CID 158639782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).