ethyl 2-(4-hydroxy-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)acetate

C23H28O8 — CID 10993729

IUPACethyl 2-(4-hydroxy-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)acetate
SMILESCCOC(=O)CC1(O)COc2ccccc2OCCOCCOc2ccccc2OC1
InChIInChI=1S/C23H28O8/c1-2-27-22(24)15-23(25)16-30-20-9-5-3-7-18(20)28-13-11-26-12-14-29-19-8-4-6-10-21(19)31-17-23/h3-10,25H,2,11-17H2,1H3
InChIKeyHOVXGHMRMIYPAM-UHFFFAOYSA-N
MW432.47 g/mol
LogP2.62
Rot. Bonds3

About ethyl 2-(4-hydroxy-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)acetate

ethyl 2-(4-hydroxy-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)acetate (PubChem CID 10993729) has the molecular formula C23H28O8 and a molecular weight of 432.47 g/mol. Its IUPAC name is ethyl 2-(4-hydroxy-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-hydroxy-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)acetate
PubChem CID10993729
Molecular FormulaC23H28O8
Molecular Weight432.47 g/mol
Exact Mass432.18
IUPAC Nameethyl 2-(4-hydroxy-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)acetate
SMILESCCOC(=O)CC1(O)COc2ccccc2OCCOCCOc2ccccc2OC1
InChIInChI=1S/C23H28O8/c1-2-27-22(24)15-23(25)16-30-20-9-5-3-7-18(20)28-13-11-26-12-14-29-19-8-4-6-10-21(19)31-17-23/h3-10,25H,2,11-17H2,1H3
InChIKeyHOVXGHMRMIYPAM-UHFFFAOYSA-N
XLogP2.62
TPSA92.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-(4-hydroxy-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)acetate with MolForge

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Related Compounds

ethyl 2-[(4-propan-2-yl-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)oxy]acetate
CID 11167412
ethyl 2-[(4-hexadecyl-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)oxy]acetate
CID 11239228
ethyl 2-[4-(diethylamino)-2,3-dihydrochromen-4-yl]acetate
CID 64539071
ethoxyethane;2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene;oxaldehyde
CID 88716262
ethyl 2-[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 94425197
ethane;ethyl 2-[(2-ethoxy-2-oxoethyl)-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)amino]acetate
CID 142832224
3-O-[[24-[(3-ethoxy-3-oxopropanoyl)oxymethyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl] 1-O-ethyl propanedioate
CID 102302863
2,3,5,6-tetrahydro-1,4,7-benzotrioxonine
CID 585925
2,5,8,11,14,17,20,23,26,29,36,39,42,45,48,51,54,57,60,63-icosaoxatricyclo[62.4.0.030,35]octahexaconta-1(68),30,32,34,64,66-hexaene
CID 18784255
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene
CID 139075381
2,5,8,11,14,21,24,27,30,33-decaoxatricyclo[32.4.0.015,20]octatriaconta-1(38),15,17,19,34,36-hexaene;2,5,8,15,18,21,24-heptaoxatricyclo[23.4.0.09,14]nonacosa-1(29),9,11,13,25,27-hexaene;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene
CID 161330562
diethyl 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-dicarboxylate
CID 3590202

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-hydroxy-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)acetate?
The IUPAC name of ethyl 2-(4-hydroxy-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)acetate (CID 10993729) is ethyl 2-(4-hydroxy-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)acetate.
What is the SMILES notation for ethyl 2-(4-hydroxy-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)acetate?
The canonical SMILES for ethyl 2-(4-hydroxy-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)acetate is CCOC(=O)CC1(O)COc2ccccc2OCCOCCOc2ccccc2OC1.
What is the InChIKey of ethyl 2-(4-hydroxy-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)acetate?
The InChIKey is HOVXGHMRMIYPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O8/c1-2-27-22(24)15-23(25)16-30-20-9-5-3-7-18(20)28-13-11-26-12-14-29-19-8-4-6-10-21(19)31-17-23/h3-10,25H,2,11-17H2,1H3.
What are the key properties of ethyl 2-(4-hydroxy-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)acetate?
ethyl 2-(4-hydroxy-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)acetate has a molecular weight of 432.47 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-hydroxy-2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yl)acetate is sourced from PubChem (CID 10993729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).