ethyl 2-[(1R,2R,6S,7S,9R,10S,15R)-4,4,12,12-tetramethyl-3,5,8,11,13,16-hexaoxatetracyclo[7.7.0.02,6.010,15]hexadecan-7-yl]acetate

C18H28O8 — CID 11760478

IUPACethyl 2-[(1R,2R,6S,7S,9R,10S,15R)-4,4,12,12-tetramethyl-3,5,8,11,13,16-hexaoxatetracyclo[7.7.0.02,6.010,15]hexadecan-7-yl]acetate
SMILESCCOC(=O)C[C@@H]1O[C@@H]2[C@@H](O[C@@H]3COC(C)(C)O[C@H]23)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C18H28O8/c1-6-20-11(19)7-9-12-16(26-18(4,5)25-12)15-14(22-9)13-10(23-15)8-21-17(2,3)24-13/h9-10,12-16H,6-8H2,1-5H3/t9-,10+,12-,13-,14-,15+,16-/m0/s1
InChIKeyYPBPWPSSEAHSRL-WBIJKHACSA-N
MW372.41 g/mol
LogP1.15
Rot. Bonds3

About ethyl 2-[(1R,2R,6S,7S,9R,10S,15R)-4,4,12,12-tetramethyl-3,5,8,11,13,16-hexaoxatetracyclo[7.7.0.02,6.010,15]hexadecan-7-yl]acetate

ethyl 2-[(1R,2R,6S,7S,9R,10S,15R)-4,4,12,12-tetramethyl-3,5,8,11,13,16-hexaoxatetracyclo[7.7.0.02,6.010,15]hexadecan-7-yl]acetate (PubChem CID 11760478) has the molecular formula C18H28O8 and a molecular weight of 372.41 g/mol. Its IUPAC name is ethyl 2-[(1R,2R,6S,7S,9R,10S,15R)-4,4,12,12-tetramethyl-3,5,8,11,13,16-hexaoxatetracyclo[7.7.0.02,6.010,15]hexadecan-7-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1R,2R,6S,7S,9R,10S,15R)-4,4,12,12-tetramethyl-3,5,8,11,13,16-hexaoxatetracyclo[7.7.0.02,6.010,15]hexadecan-7-yl]acetate
PubChem CID11760478
Molecular FormulaC18H28O8
Molecular Weight372.41 g/mol
Exact Mass372.18
IUPAC Nameethyl 2-[(1R,2R,6S,7S,9R,10S,15R)-4,4,12,12-tetramethyl-3,5,8,11,13,16-hexaoxatetracyclo[7.7.0.02,6.010,15]hexadecan-7-yl]acetate
SMILESCCOC(=O)C[C@@H]1O[C@@H]2[C@@H](O[C@@H]3COC(C)(C)O[C@H]23)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C18H28O8/c1-6-20-11(19)7-9-12-16(26-18(4,5)25-12)15-14(22-9)13-10(23-15)8-21-17(2,3)24-13/h9-10,12-16H,6-8H2,1-5H3/t9-,10+,12-,13-,14-,15+,16-/m0/s1
InChIKeyYPBPWPSSEAHSRL-WBIJKHACSA-N
XLogP1.15
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[(1R,2R,6S,7S,9R,10S,15R)-4,4,12,12-tetramethyl-3,5,8,11,13,16-hexaoxatetracyclo[7.7.0.02,6.010,15]hexadecan-7-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1R,2R,6S,7S,9R,10S,15R)-4,4,12,12-tetramethyl-3,5,8,11,13,16-hexaoxatetracyclo[7.7.0.02,6.010,15]hexadecan-7-yl]acetate?
The IUPAC name of ethyl 2-[(1R,2R,6S,7S,9R,10S,15R)-4,4,12,12-tetramethyl-3,5,8,11,13,16-hexaoxatetracyclo[7.7.0.02,6.010,15]hexadecan-7-yl]acetate (CID 11760478) is ethyl 2-[(1R,2R,6S,7S,9R,10S,15R)-4,4,12,12-tetramethyl-3,5,8,11,13,16-hexaoxatetracyclo[7.7.0.02,6.010,15]hexadecan-7-yl]acetate.
What is the SMILES notation for ethyl 2-[(1R,2R,6S,7S,9R,10S,15R)-4,4,12,12-tetramethyl-3,5,8,11,13,16-hexaoxatetracyclo[7.7.0.02,6.010,15]hexadecan-7-yl]acetate?
The canonical SMILES for ethyl 2-[(1R,2R,6S,7S,9R,10S,15R)-4,4,12,12-tetramethyl-3,5,8,11,13,16-hexaoxatetracyclo[7.7.0.02,6.010,15]hexadecan-7-yl]acetate is CCOC(=O)C[C@@H]1O[C@@H]2[C@@H](O[C@@H]3COC(C)(C)O[C@H]23)[C@H]2OC(C)(C)O[C@H]21.
What is the InChIKey of ethyl 2-[(1R,2R,6S,7S,9R,10S,15R)-4,4,12,12-tetramethyl-3,5,8,11,13,16-hexaoxatetracyclo[7.7.0.02,6.010,15]hexadecan-7-yl]acetate?
The InChIKey is YPBPWPSSEAHSRL-WBIJKHACSA-N. The full InChI is InChI=1S/C18H28O8/c1-6-20-11(19)7-9-12-16(26-18(4,5)25-12)15-14(22-9)13-10(23-15)8-21-17(2,3)24-13/h9-10,12-16H,6-8H2,1-5H3/t9-,10+,12-,13-,14-,15+,16-/m0/s1.
What are the key properties of ethyl 2-[(1R,2R,6S,7S,9R,10S,15R)-4,4,12,12-tetramethyl-3,5,8,11,13,16-hexaoxatetracyclo[7.7.0.02,6.010,15]hexadecan-7-yl]acetate?
ethyl 2-[(1R,2R,6S,7S,9R,10S,15R)-4,4,12,12-tetramethyl-3,5,8,11,13,16-hexaoxatetracyclo[7.7.0.02,6.010,15]hexadecan-7-yl]acetate has a molecular weight of 372.41 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1R,2R,6S,7S,9R,10S,15R)-4,4,12,12-tetramethyl-3,5,8,11,13,16-hexaoxatetracyclo[7.7.0.02,6.010,15]hexadecan-7-yl]acetate is sourced from PubChem (CID 11760478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).