(3-ethyloxetan-3-yl)methyl acetate;(3-ethyloxetan-3-yl)methyl butanoate;(3-ethyloxetan-3-yl)methyl heptanoate;(3-ethyloxetan-3-yl)methyl hexanoate;(3-ethyloxetan-3-yl)methyl octanoate;(3-ethyloxetan-3-yl)methyl pentanoate;(3-ethyloxetan-3-yl)methyl propanoate;(3-methyloxetan-3-yl)methyl 2-methoxyacetate

C85H154O25 — CID 161256870

IUPAC(3-ethyloxetan-3-yl)methyl acetate;(3-ethyloxetan-3-yl)methyl butanoate;(3-ethyloxetan-3-yl)methyl heptanoate;(3-ethyloxetan-3-yl)methyl hexanoate;(3-ethyloxetan-3-yl)methyl octanoate;(3-ethyloxetan-3-yl)methyl pentanoate;(3-ethyloxetan-3-yl)methyl propanoate;(3-methyloxetan-3-yl)methyl 2-methoxyacetate
SMILESCCC(=O)OCC1(CC)COC1.CCC1(COC(C)=O)COC1.CCCC(=O)OCC1(CC)COC1.CCCCC(=O)OCC1(CC)COC1.CCCCCC(=O)OCC1(CC)COC1.CCCCCCC(=O)OCC1(CC)COC1.CCCCCCCC(=O)OCC1(CC)COC1.COCC(=O)OCC1(C)COC1
InChIInChI=1S/C14H26O3.C13H24O3.C12H22O3.C11H20O3.C10H18O3.C9H16O3.C8H14O4.C8H14O3/c1-3-5-6-7-8-9-13(15)17-12-14(4-2)10-16-11-14;1-3-5-6-7-8-12(14)16-11-13(4-2)9-15-10-13;1-3-5-6-7-11(13)15-10-12(4-2)8-14-9-12;1-3-5-6-10(12)14-9-11(4-2)7-13-8-11;1-3-5-9(11)13-8-10(4-2)6-12-7-10;1-3-8(10)12-7-9(4-2)5-11-6-9;1-8(4-11-5-8)6-12-7(9)3-10-2;1-3-8(4-10-5-8)6-11-7(2)9/h3-12H2,1-2H3;3-11H2,1-2H3;3-10H2,1-2H3;3-9H2,1-2H3;3-8H2,1-2H3;3-7H2,1-2H3;3-6H2,1-2H3;3-6H2,1-2H3
InChIKeyVCAPMVALMIEBJQ-UHFFFAOYSA-N
MW1576.14 g/mol
LogP15.24
Rot. Bonds46

About (3-ethyloxetan-3-yl)methyl acetate;(3-ethyloxetan-3-yl)methyl butanoate;(3-ethyloxetan-3-yl)methyl heptanoate;(3-ethyloxetan-3-yl)methyl hexanoate;(3-ethyloxetan-3-yl)methyl octanoate;(3-ethyloxetan-3-yl)methyl pentanoate;(3-ethyloxetan-3-yl)methyl propanoate;(3-methyloxetan-3-yl)methyl 2-methoxyacetate

(3-ethyloxetan-3-yl)methyl acetate;(3-ethyloxetan-3-yl)methyl butanoate;(3-ethyloxetan-3-yl)methyl heptanoate;(3-ethyloxetan-3-yl)methyl hexanoate;(3-ethyloxetan-3-yl)methyl octanoate;(3-ethyloxetan-3-yl)methyl pentanoate;(3-ethyloxetan-3-yl)methyl propanoate;(3-methyloxetan-3-yl)methyl 2-methoxyacetate (PubChem CID 161256870) has the molecular formula C85H154O25 and a molecular weight of 1576.14 g/mol. Its IUPAC name is (3-ethyloxetan-3-yl)methyl acetate;(3-ethyloxetan-3-yl)methyl butanoate;(3-ethyloxetan-3-yl)methyl heptanoate;(3-ethyloxetan-3-yl)methyl hexanoate;(3-ethyloxetan-3-yl)methyl octanoate;(3-ethyloxetan-3-yl)methyl pentanoate;(3-ethyloxetan-3-yl)methyl propanoate;(3-methyloxetan-3-yl)methyl 2-methoxyacetate.

Molecular Properties

Compound Name(3-ethyloxetan-3-yl)methyl acetate;(3-ethyloxetan-3-yl)methyl butanoate;(3-ethyloxetan-3-yl)methyl heptanoate;(3-ethyloxetan-3-yl)methyl hexanoate;(3-ethyloxetan-3-yl)methyl octanoate;(3-ethyloxetan-3-yl)methyl pentanoate;(3-ethyloxetan-3-yl)methyl propanoate;(3-methyloxetan-3-yl)methyl 2-methoxyacetate
PubChem CID161256870
Molecular FormulaC85H154O25
Molecular Weight1576.14 g/mol
Exact Mass1575.08
IUPAC Name(3-ethyloxetan-3-yl)methyl acetate;(3-ethyloxetan-3-yl)methyl butanoate;(3-ethyloxetan-3-yl)methyl heptanoate;(3-ethyloxetan-3-yl)methyl hexanoate;(3-ethyloxetan-3-yl)methyl octanoate;(3-ethyloxetan-3-yl)methyl pentanoate;(3-ethyloxetan-3-yl)methyl propanoate;(3-methyloxetan-3-yl)methyl 2-methoxyacetate
SMILESCCC(=O)OCC1(CC)COC1.CCC1(COC(C)=O)COC1.CCCC(=O)OCC1(CC)COC1.CCCCC(=O)OCC1(CC)COC1.CCCCCC(=O)OCC1(CC)COC1.CCCCCCC(=O)OCC1(CC)COC1.CCCCCCCC(=O)OCC1(CC)COC1.COCC(=O)OCC1(C)COC1
InChIInChI=1S/C14H26O3.C13H24O3.C12H22O3.C11H20O3.C10H18O3.C9H16O3.C8H14O4.C8H14O3/c1-3-5-6-7-8-9-13(15)17-12-14(4-2)10-16-11-14;1-3-5-6-7-8-12(14)16-11-13(4-2)9-15-10-13;1-3-5-6-7-11(13)15-10-12(4-2)8-14-9-12;1-3-5-6-10(12)14-9-11(4-2)7-13-8-11;1-3-5-9(11)13-8-10(4-2)6-12-7-10;1-3-8(10)12-7-9(4-2)5-11-6-9;1-8(4-11-5-8)6-12-7(9)3-10-2;1-3-8(4-10-5-8)6-11-7(2)9/h3-12H2,1-2H3;3-11H2,1-2H3;3-10H2,1-2H3;3-9H2,1-2H3;3-8H2,1-2H3;3-7H2,1-2H3;3-6H2,1-2H3;3-6H2,1-2H3
InChIKeyVCAPMVALMIEBJQ-UHFFFAOYSA-N
XLogP15.24
TPSA293.47 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds46
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001576.14
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze (3-ethyloxetan-3-yl)methyl acetate;(3-ethyloxetan-3-yl)methyl butanoate;(3-ethyloxetan-3-yl)methyl heptanoate;(3-ethyloxetan-3-yl)methyl hexanoate;(3-ethyloxetan-3-yl)methyl octanoate;(3-ethyloxetan-3-yl)methyl pentanoate;(3-ethyloxetan-3-yl)methyl propanoate;(3-methyloxetan-3-yl)methyl 2-methoxyacetate with MolForge

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Launch Full Analysis

Related Compounds

(5-ethyl-1,3-dioxan-5-yl)methyl pentanoate
CID 130343670
1-O-dodecyl 5-O-[(5-ethyl-1,3-dioxan-5-yl)methyl] pentanedioate
CID 91708141
3-(5-ethoxypentoxymethyl)-3-methyloxetane;(3-ethyloxetan-3-yl)methyl heptanoate;heptyl prop-2-enoate;4-methoxybut-1-ene;4-methoxybutyl prop-2-enoate;6-methoxyhexyl prop-2-enoate;8-methoxyoct-1-ene;8-methoxyoctyl prop-2-enoate;nonyl prop-2-enoate
CID 162019470
5-O-[(5-ethyl-1,3-dioxan-5-yl)methyl] 1-O-propyl pentanedioate
CID 91708313
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
[3,8,10-triethyl-8,10,11-trimethyl-9-(3-methyloxiran-2-yl)oxy-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methyl octadecanoate
CID 155328101
[2-oxo-2-[(2,2,5-trimethyl-1,3-dioxan-5-yl)amino]ethyl] octadecanoate
CID 86719412
2-octyldodecyl 2-methoxyacetate
CID 129279651
[5-(hexoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methyl oct-7-enoate
CID 172621222
[(2S)-2-methyloxiran-2-yl]methyl propanoate
CID 100919091
2-acetyloxyethyl hexanoate
CID 21336001
2-methoxyethyl octanoate
CID 14009347

Frequently Asked Questions

What is the IUPAC name of (3-ethyloxetan-3-yl)methyl acetate;(3-ethyloxetan-3-yl)methyl butanoate;(3-ethyloxetan-3-yl)methyl heptanoate;(3-ethyloxetan-3-yl)methyl hexanoate;(3-ethyloxetan-3-yl)methyl octanoate;(3-ethyloxetan-3-yl)methyl pentanoate;(3-ethyloxetan-3-yl)methyl propanoate;(3-methyloxetan-3-yl)methyl 2-methoxyacetate?
The IUPAC name of (3-ethyloxetan-3-yl)methyl acetate;(3-ethyloxetan-3-yl)methyl butanoate;(3-ethyloxetan-3-yl)methyl heptanoate;(3-ethyloxetan-3-yl)methyl hexanoate;(3-ethyloxetan-3-yl)methyl octanoate;(3-ethyloxetan-3-yl)methyl pentanoate;(3-ethyloxetan-3-yl)methyl propanoate;(3-methyloxetan-3-yl)methyl 2-methoxyacetate (CID 161256870) is (3-ethyloxetan-3-yl)methyl acetate;(3-ethyloxetan-3-yl)methyl butanoate;(3-ethyloxetan-3-yl)methyl heptanoate;(3-ethyloxetan-3-yl)methyl hexanoate;(3-ethyloxetan-3-yl)methyl octanoate;(3-ethyloxetan-3-yl)methyl pentanoate;(3-ethyloxetan-3-yl)methyl propanoate;(3-methyloxetan-3-yl)methyl 2-methoxyacetate.
What is the SMILES notation for (3-ethyloxetan-3-yl)methyl acetate;(3-ethyloxetan-3-yl)methyl butanoate;(3-ethyloxetan-3-yl)methyl heptanoate;(3-ethyloxetan-3-yl)methyl hexanoate;(3-ethyloxetan-3-yl)methyl octanoate;(3-ethyloxetan-3-yl)methyl pentanoate;(3-ethyloxetan-3-yl)methyl propanoate;(3-methyloxetan-3-yl)methyl 2-methoxyacetate?
The canonical SMILES for (3-ethyloxetan-3-yl)methyl acetate;(3-ethyloxetan-3-yl)methyl butanoate;(3-ethyloxetan-3-yl)methyl heptanoate;(3-ethyloxetan-3-yl)methyl hexanoate;(3-ethyloxetan-3-yl)methyl octanoate;(3-ethyloxetan-3-yl)methyl pentanoate;(3-ethyloxetan-3-yl)methyl propanoate;(3-methyloxetan-3-yl)methyl 2-methoxyacetate is CCC(=O)OCC1(CC)COC1.CCC1(COC(C)=O)COC1.CCCC(=O)OCC1(CC)COC1.CCCCC(=O)OCC1(CC)COC1.CCCCCC(=O)OCC1(CC)COC1.CCCCCCC(=O)OCC1(CC)COC1.CCCCCCCC(=O)OCC1(CC)COC1.COCC(=O)OCC1(C)COC1.
What is the InChIKey of (3-ethyloxetan-3-yl)methyl acetate;(3-ethyloxetan-3-yl)methyl butanoate;(3-ethyloxetan-3-yl)methyl heptanoate;(3-ethyloxetan-3-yl)methyl hexanoate;(3-ethyloxetan-3-yl)methyl octanoate;(3-ethyloxetan-3-yl)methyl pentanoate;(3-ethyloxetan-3-yl)methyl propanoate;(3-methyloxetan-3-yl)methyl 2-methoxyacetate?
The InChIKey is VCAPMVALMIEBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3.C13H24O3.C12H22O3.C11H20O3.C10H18O3.C9H16O3.C8H14O4.C8H14O3/c1-3-5-6-7-8-9-13(15)17-12-14(4-2)10-16-11-14;1-3-5-6-7-8-12(14)16-11-13(4-2)9-15-10-13;1-3-5-6-7-11(13)15-10-12(4-2)8-14-9-12;1-3-5-6-10(12)14-9-11(4-2)7-13-8-11;1-3-5-9(11)13-8-10(4-2)6-12-7-10;1-3-8(10)12-7-9(4-2)5-11-6-9;1-8(4-11-5-8)6-12-7(9)3-10-2;1-3-8(4-10-5-8)6-11-7(2)9/h3-12H2,1-2H3;3-11H2,1-2H3;3-10H2,1-2H3;3-9H2,1-2H3;3-8H2,1-2H3;3-7H2,1-2H3;3-6H2,1-2H3;3-6H2,1-2H3.
What are the key properties of (3-ethyloxetan-3-yl)methyl acetate;(3-ethyloxetan-3-yl)methyl butanoate;(3-ethyloxetan-3-yl)methyl heptanoate;(3-ethyloxetan-3-yl)methyl hexanoate;(3-ethyloxetan-3-yl)methyl octanoate;(3-ethyloxetan-3-yl)methyl pentanoate;(3-ethyloxetan-3-yl)methyl propanoate;(3-methyloxetan-3-yl)methyl 2-methoxyacetate?
(3-ethyloxetan-3-yl)methyl acetate;(3-ethyloxetan-3-yl)methyl butanoate;(3-ethyloxetan-3-yl)methyl heptanoate;(3-ethyloxetan-3-yl)methyl hexanoate;(3-ethyloxetan-3-yl)methyl octanoate;(3-ethyloxetan-3-yl)methyl pentanoate;(3-ethyloxetan-3-yl)methyl propanoate;(3-methyloxetan-3-yl)methyl 2-methoxyacetate has a molecular weight of 1576.14 g/mol, XLogP of 15.24, 46 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyloxetan-3-yl)methyl acetate;(3-ethyloxetan-3-yl)methyl butanoate;(3-ethyloxetan-3-yl)methyl heptanoate;(3-ethyloxetan-3-yl)methyl hexanoate;(3-ethyloxetan-3-yl)methyl octanoate;(3-ethyloxetan-3-yl)methyl pentanoate;(3-ethyloxetan-3-yl)methyl propanoate;(3-methyloxetan-3-yl)methyl 2-methoxyacetate is sourced from PubChem (CID 161256870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).