ethyl (Z,5R)-5-hydroxy-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]pent-2-enoate

C18H28O8 — CID 134973117

IUPACethyl (Z,5R)-5-hydroxy-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]pent-2-enoate
SMILESCCOC(=O)/C=C\C[C@@H](O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C18H28O8/c1-6-21-11(20)9-7-8-10(19)12-13-14(24-17(2,3)23-13)15-16(22-12)26-18(4,5)25-15/h7,9-10,12-16,19H,6,8H2,1-5H3/b9-7-/t10-,12-,13+,14+,15-,16-/m1/s1
InChIKeyQDUMDYODNZDUTN-FUCYLTSUSA-N
MW372.41 g/mol
LogP1.25
Rot. Bonds5

About ethyl (Z,5R)-5-hydroxy-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]pent-2-enoate

ethyl (Z,5R)-5-hydroxy-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]pent-2-enoate (PubChem CID 134973117) has the molecular formula C18H28O8 and a molecular weight of 372.41 g/mol. Its IUPAC name is ethyl (Z,5R)-5-hydroxy-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]pent-2-enoate.

Molecular Properties

Compound Nameethyl (Z,5R)-5-hydroxy-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]pent-2-enoate
PubChem CID134973117
Molecular FormulaC18H28O8
Molecular Weight372.41 g/mol
Exact Mass372.18
IUPAC Nameethyl (Z,5R)-5-hydroxy-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]pent-2-enoate
SMILESCCOC(=O)/C=C\C[C@@H](O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C18H28O8/c1-6-21-11(20)9-7-8-10(19)12-13-14(24-17(2,3)23-13)15-16(22-12)26-18(4,5)25-15/h7,9-10,12-16,19H,6,8H2,1-5H3/b9-7-/t10-,12-,13+,14+,15-,16-/m1/s1
InChIKeyQDUMDYODNZDUTN-FUCYLTSUSA-N
XLogP1.25
TPSA92.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (Z,5R)-5-hydroxy-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]pent-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z,5R)-5-hydroxy-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]pent-2-enoate?
The IUPAC name of ethyl (Z,5R)-5-hydroxy-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]pent-2-enoate (CID 134973117) is ethyl (Z,5R)-5-hydroxy-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]pent-2-enoate.
What is the SMILES notation for ethyl (Z,5R)-5-hydroxy-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]pent-2-enoate?
The canonical SMILES for ethyl (Z,5R)-5-hydroxy-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]pent-2-enoate is CCOC(=O)/C=C\C[C@@H](O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21.
What is the InChIKey of ethyl (Z,5R)-5-hydroxy-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]pent-2-enoate?
The InChIKey is QDUMDYODNZDUTN-FUCYLTSUSA-N. The full InChI is InChI=1S/C18H28O8/c1-6-21-11(20)9-7-8-10(19)12-13-14(24-17(2,3)23-13)15-16(22-12)26-18(4,5)25-15/h7,9-10,12-16,19H,6,8H2,1-5H3/b9-7-/t10-,12-,13+,14+,15-,16-/m1/s1.
What are the key properties of ethyl (Z,5R)-5-hydroxy-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]pent-2-enoate?
ethyl (Z,5R)-5-hydroxy-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]pent-2-enoate has a molecular weight of 372.41 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z,5R)-5-hydroxy-5-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]pent-2-enoate is sourced from PubChem (CID 134973117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).