ethyl butanoate;ethyl decanoate;ethyl dodecanoate;ethyl heptanoate;ethyl hexadecanoate;ethyl hexanoate;ethyl nonanoate;ethyl octanoate;ethyl pentadecanoate;ethyl propanoate;ethyl tetradecanoate;ethyl tridecanoate;ethyl undecanoate

C154H308O26 — CID 162105702

IUPACethyl butanoate;ethyl decanoate;ethyl dodecanoate;ethyl heptanoate;ethyl hexadecanoate;ethyl hexanoate;ethyl nonanoate;ethyl octanoate;ethyl pentadecanoate;ethyl propanoate;ethyl tetradecanoate;ethyl tridecanoate;ethyl undecanoate
SMILESCCCC(=O)OCC.CCCCCC(=O)OCC.CCCCCCC(=O)OCC.CCCCCCCC(=O)OCC.CCCCCCCCC(=O)OCC.CCCCCCCCCC(=O)OCC.CCCCCCCCCCC(=O)OCC.CCCCCCCCCCCC(=O)OCC.CCCCCCCCCCCCC(=O)OCC.CCCCCCCCCCCCCC(=O)OCC.CCCCCCCCCCCCCCC(=O)OCC.CCCCCCCCCCCCCCCC(=O)OCC.CCOC(=O)CC
InChIInChI=1S/C18H36O2.C17H34O2.C16H32O2.C15H30O2.C14H28O2.C13H26O2.C12H24O2.C11H22O2.C10H20O2.C9H18O2.C8H16O2.C6H12O2.C5H10O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2;1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-4-2;1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2;1-3-5-6-7-8-9-10-11-12-13-14-15(16)17-4-2;1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2;1-3-5-6-7-8-9-10-11-12-13(14)15-4-2;1-3-5-6-7-8-9-10-11-12(13)14-4-2;1-3-5-6-7-8-9-10-11(12)13-4-2;1-3-5-6-7-8-9-10(11)12-4-2;1-3-5-6-7-8-9(10)11-4-2;1-3-5-6-7-8(9)10-4-2;1-3-5-6(7)8-4-2;1-3-5(6)7-4-2/h3-17H2,1-2H3;3-16H2,1-2H3;3-15H2,1-2H3;3-14H2,1-2H3;3-13H2,1-2H3;3-12H2,1-2H3;3-11H2,1-2H3;3-10H2,1-2H3;3-9H2,1-2H3;3-8H2,1-2H3;3-7H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3
InChIKeyZFMBBHKTUIWIKG-UHFFFAOYSA-N
MW2576.13 g/mol
LogP47.19
Rot. Bonds115

About ethyl butanoate;ethyl decanoate;ethyl dodecanoate;ethyl heptanoate;ethyl hexadecanoate;ethyl hexanoate;ethyl nonanoate;ethyl octanoate;ethyl pentadecanoate;ethyl propanoate;ethyl tetradecanoate;ethyl tridecanoate;ethyl undecanoate

ethyl butanoate;ethyl decanoate;ethyl dodecanoate;ethyl heptanoate;ethyl hexadecanoate;ethyl hexanoate;ethyl nonanoate;ethyl octanoate;ethyl pentadecanoate;ethyl propanoate;ethyl tetradecanoate;ethyl tridecanoate;ethyl undecanoate (PubChem CID 162105702) has the molecular formula C154H308O26 and a molecular weight of 2576.13 g/mol. Its IUPAC name is ethyl butanoate;ethyl decanoate;ethyl dodecanoate;ethyl heptanoate;ethyl hexadecanoate;ethyl hexanoate;ethyl nonanoate;ethyl octanoate;ethyl pentadecanoate;ethyl propanoate;ethyl tetradecanoate;ethyl tridecanoate;ethyl undecanoate.

Molecular Properties

Compound Nameethyl butanoate;ethyl decanoate;ethyl dodecanoate;ethyl heptanoate;ethyl hexadecanoate;ethyl hexanoate;ethyl nonanoate;ethyl octanoate;ethyl pentadecanoate;ethyl propanoate;ethyl tetradecanoate;ethyl tridecanoate;ethyl undecanoate
PubChem CID162105702
Molecular FormulaC154H308O26
Molecular Weight2576.13 g/mol
Exact Mass2574.28
IUPAC Nameethyl butanoate;ethyl decanoate;ethyl dodecanoate;ethyl heptanoate;ethyl hexadecanoate;ethyl hexanoate;ethyl nonanoate;ethyl octanoate;ethyl pentadecanoate;ethyl propanoate;ethyl tetradecanoate;ethyl tridecanoate;ethyl undecanoate
SMILESCCCC(=O)OCC.CCCCCC(=O)OCC.CCCCCCC(=O)OCC.CCCCCCCC(=O)OCC.CCCCCCCCC(=O)OCC.CCCCCCCCCC(=O)OCC.CCCCCCCCCCC(=O)OCC.CCCCCCCCCCCC(=O)OCC.CCCCCCCCCCCCC(=O)OCC.CCCCCCCCCCCCCC(=O)OCC.CCCCCCCCCCCCCCC(=O)OCC.CCCCCCCCCCCCCCCC(=O)OCC.CCOC(=O)CC
InChIInChI=1S/C18H36O2.C17H34O2.C16H32O2.C15H30O2.C14H28O2.C13H26O2.C12H24O2.C11H22O2.C10H20O2.C9H18O2.C8H16O2.C6H12O2.C5H10O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2;1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-4-2;1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2;1-3-5-6-7-8-9-10-11-12-13-14-15(16)17-4-2;1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2;1-3-5-6-7-8-9-10-11-12-13(14)15-4-2;1-3-5-6-7-8-9-10-11-12(13)14-4-2;1-3-5-6-7-8-9-10-11(12)13-4-2;1-3-5-6-7-8-9-10(11)12-4-2;1-3-5-6-7-8-9(10)11-4-2;1-3-5-6-7-8(9)10-4-2;1-3-5-6(7)8-4-2;1-3-5(6)7-4-2/h3-17H2,1-2H3;3-16H2,1-2H3;3-15H2,1-2H3;3-14H2,1-2H3;3-13H2,1-2H3;3-12H2,1-2H3;3-11H2,1-2H3;3-10H2,1-2H3;3-9H2,1-2H3;3-8H2,1-2H3;3-7H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3
InChIKeyZFMBBHKTUIWIKG-UHFFFAOYSA-N
XLogP47.19
TPSA341.90 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds115
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002576.13
LogP ≤ 547.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze ethyl butanoate;ethyl decanoate;ethyl dodecanoate;ethyl heptanoate;ethyl hexadecanoate;ethyl hexanoate;ethyl nonanoate;ethyl octanoate;ethyl pentadecanoate;ethyl propanoate;ethyl tetradecanoate;ethyl tridecanoate;ethyl undecanoate with MolForge

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Launch Full Analysis

Related Compounds

pentakis(ethyl octanoate);hexane
CID 173194775
ethyl tetradecanoate
CID 89052756
CID 87572227
CID 87572227
ethyl undecanoate
CID 12327
ethyl decanoate;methanol
CID 161391102
ethyl butanoate;ethyl propanoate
CID 159309203
sodium;ethyl octadecanoate;hydride
CID 174731148
ethyl hexanoate;tungsten
CID 175314088
ethyl hexanoate;nickel(2+)
CID 162067155
ethyl hexanoate;mercury
CID 174624991
ethyl hexanoate;gallane
CID 174708288
ethyl hexanoate;gadolinium
CID 174444534

Frequently Asked Questions

What is the IUPAC name of ethyl butanoate;ethyl decanoate;ethyl dodecanoate;ethyl heptanoate;ethyl hexadecanoate;ethyl hexanoate;ethyl nonanoate;ethyl octanoate;ethyl pentadecanoate;ethyl propanoate;ethyl tetradecanoate;ethyl tridecanoate;ethyl undecanoate?
The IUPAC name of ethyl butanoate;ethyl decanoate;ethyl dodecanoate;ethyl heptanoate;ethyl hexadecanoate;ethyl hexanoate;ethyl nonanoate;ethyl octanoate;ethyl pentadecanoate;ethyl propanoate;ethyl tetradecanoate;ethyl tridecanoate;ethyl undecanoate (CID 162105702) is ethyl butanoate;ethyl decanoate;ethyl dodecanoate;ethyl heptanoate;ethyl hexadecanoate;ethyl hexanoate;ethyl nonanoate;ethyl octanoate;ethyl pentadecanoate;ethyl propanoate;ethyl tetradecanoate;ethyl tridecanoate;ethyl undecanoate.
What is the SMILES notation for ethyl butanoate;ethyl decanoate;ethyl dodecanoate;ethyl heptanoate;ethyl hexadecanoate;ethyl hexanoate;ethyl nonanoate;ethyl octanoate;ethyl pentadecanoate;ethyl propanoate;ethyl tetradecanoate;ethyl tridecanoate;ethyl undecanoate?
The canonical SMILES for ethyl butanoate;ethyl decanoate;ethyl dodecanoate;ethyl heptanoate;ethyl hexadecanoate;ethyl hexanoate;ethyl nonanoate;ethyl octanoate;ethyl pentadecanoate;ethyl propanoate;ethyl tetradecanoate;ethyl tridecanoate;ethyl undecanoate is CCCC(=O)OCC.CCCCCC(=O)OCC.CCCCCCC(=O)OCC.CCCCCCCC(=O)OCC.CCCCCCCCC(=O)OCC.CCCCCCCCCC(=O)OCC.CCCCCCCCCCC(=O)OCC.CCCCCCCCCCCC(=O)OCC.CCCCCCCCCCCCC(=O)OCC.CCCCCCCCCCCCCC(=O)OCC.CCCCCCCCCCCCCCC(=O)OCC.CCCCCCCCCCCCCCCC(=O)OCC.CCOC(=O)CC.
What is the InChIKey of ethyl butanoate;ethyl decanoate;ethyl dodecanoate;ethyl heptanoate;ethyl hexadecanoate;ethyl hexanoate;ethyl nonanoate;ethyl octanoate;ethyl pentadecanoate;ethyl propanoate;ethyl tetradecanoate;ethyl tridecanoate;ethyl undecanoate?
The InChIKey is ZFMBBHKTUIWIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.C17H34O2.C16H32O2.C15H30O2.C14H28O2.C13H26O2.C12H24O2.C11H22O2.C10H20O2.C9H18O2.C8H16O2.C6H12O2.C5H10O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2;1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-4-2;1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2;1-3-5-6-7-8-9-10-11-12-13-14-15(16)17-4-2;1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2;1-3-5-6-7-8-9-10-11-12-13(14)15-4-2;1-3-5-6-7-8-9-10-11-12(13)14-4-2;1-3-5-6-7-8-9-10-11(12)13-4-2;1-3-5-6-7-8-9-10(11)12-4-2;1-3-5-6-7-8-9(10)11-4-2;1-3-5-6-7-8(9)10-4-2;1-3-5-6(7)8-4-2;1-3-5(6)7-4-2/h3-17H2,1-2H3;3-16H2,1-2H3;3-15H2,1-2H3;3-14H2,1-2H3;3-13H2,1-2H3;3-12H2,1-2H3;3-11H2,1-2H3;3-10H2,1-2H3;3-9H2,1-2H3;3-8H2,1-2H3;3-7H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3.
What are the key properties of ethyl butanoate;ethyl decanoate;ethyl dodecanoate;ethyl heptanoate;ethyl hexadecanoate;ethyl hexanoate;ethyl nonanoate;ethyl octanoate;ethyl pentadecanoate;ethyl propanoate;ethyl tetradecanoate;ethyl tridecanoate;ethyl undecanoate?
ethyl butanoate;ethyl decanoate;ethyl dodecanoate;ethyl heptanoate;ethyl hexadecanoate;ethyl hexanoate;ethyl nonanoate;ethyl octanoate;ethyl pentadecanoate;ethyl propanoate;ethyl tetradecanoate;ethyl tridecanoate;ethyl undecanoate has a molecular weight of 2576.13 g/mol, XLogP of 47.19, 115 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl butanoate;ethyl decanoate;ethyl dodecanoate;ethyl heptanoate;ethyl hexadecanoate;ethyl hexanoate;ethyl nonanoate;ethyl octanoate;ethyl pentadecanoate;ethyl propanoate;ethyl tetradecanoate;ethyl tridecanoate;ethyl undecanoate is sourced from PubChem (CID 162105702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).