ethyl (2E,4R,5S,6S,8E,10E,12S)-5-[diethyl(propan-2-yl)silyl]oxy-12-methoxy-2,4,6,8-tetramethyl-12-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]dodeca-2,8,10-trienoate

C33H60O6Si — CID 10952006

IUPACethyl (2E,4R,5S,6S,8E,10E,12S)-5-[diethyl(propan-2-yl)silyl]oxy-12-methoxy-2,4,6,8-tetramethyl-12-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]dodeca-2,8,10-trienoate
SMILESCCOC(=O)/C(C)=C/[C@@H](C)[C@@H](O[Si](CC)(CC)C(C)C)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]1OC(C)(C)OC[C@@H]1C
InChIInChI=1S/C33H60O6Si/c1-14-36-32(34)27(9)21-26(8)30(39-40(15-2,16-3)23(4)5)25(7)20-24(6)18-17-19-29(35-13)31-28(10)22-37-33(11,12)38-31/h17-19,21,23,25-26,28-31H,14-16,20,22H2,1-13H3/b19-17+,24-18+,27-21+/t25-,26+,28-,29-,30-,31+/m0/s1
InChIKeyUTBWODWZUPYBLV-LOUVKRMFSA-N
MW580.92 g/mol
LogP8.24
Rot. Bonds16

About ethyl (2E,4R,5S,6S,8E,10E,12S)-5-[diethyl(propan-2-yl)silyl]oxy-12-methoxy-2,4,6,8-tetramethyl-12-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]dodeca-2,8,10-trienoate

ethyl (2E,4R,5S,6S,8E,10E,12S)-5-[diethyl(propan-2-yl)silyl]oxy-12-methoxy-2,4,6,8-tetramethyl-12-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]dodeca-2,8,10-trienoate (PubChem CID 10952006) has the molecular formula C33H60O6Si and a molecular weight of 580.92 g/mol. Its IUPAC name is ethyl (2E,4R,5S,6S,8E,10E,12S)-5-[diethyl(propan-2-yl)silyl]oxy-12-methoxy-2,4,6,8-tetramethyl-12-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]dodeca-2,8,10-trienoate.

Molecular Properties

Compound Nameethyl (2E,4R,5S,6S,8E,10E,12S)-5-[diethyl(propan-2-yl)silyl]oxy-12-methoxy-2,4,6,8-tetramethyl-12-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]dodeca-2,8,10-trienoate
PubChem CID10952006
Molecular FormulaC33H60O6Si
Molecular Weight580.92 g/mol
Exact Mass580.42
IUPAC Nameethyl (2E,4R,5S,6S,8E,10E,12S)-5-[diethyl(propan-2-yl)silyl]oxy-12-methoxy-2,4,6,8-tetramethyl-12-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]dodeca-2,8,10-trienoate
SMILESCCOC(=O)/C(C)=C/[C@@H](C)[C@@H](O[Si](CC)(CC)C(C)C)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]1OC(C)(C)OC[C@@H]1C
InChIInChI=1S/C33H60O6Si/c1-14-36-32(34)27(9)21-26(8)30(39-40(15-2,16-3)23(4)5)25(7)20-24(6)18-17-19-29(35-13)31-28(10)22-37-33(11,12)38-31/h17-19,21,23,25-26,28-31H,14-16,20,22H2,1-13H3/b19-17+,24-18+,27-21+/t25-,26+,28-,29-,30-,31+/m0/s1
InChIKeyUTBWODWZUPYBLV-LOUVKRMFSA-N
XLogP8.24
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.92
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl (2E,4R,5S,6S,8E,10E,12S)-5-[diethyl(propan-2-yl)silyl]oxy-12-methoxy-2,4,6,8-tetramethyl-12-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]dodeca-2,8,10-trienoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4R,5S,6S,8E,10E,12S)-5-[diethyl(propan-2-yl)silyl]oxy-12-methoxy-2,4,6,8-tetramethyl-12-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]dodeca-2,8,10-trienoate?
The IUPAC name of ethyl (2E,4R,5S,6S,8E,10E,12S)-5-[diethyl(propan-2-yl)silyl]oxy-12-methoxy-2,4,6,8-tetramethyl-12-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]dodeca-2,8,10-trienoate (CID 10952006) is ethyl (2E,4R,5S,6S,8E,10E,12S)-5-[diethyl(propan-2-yl)silyl]oxy-12-methoxy-2,4,6,8-tetramethyl-12-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]dodeca-2,8,10-trienoate.
What is the SMILES notation for ethyl (2E,4R,5S,6S,8E,10E,12S)-5-[diethyl(propan-2-yl)silyl]oxy-12-methoxy-2,4,6,8-tetramethyl-12-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]dodeca-2,8,10-trienoate?
The canonical SMILES for ethyl (2E,4R,5S,6S,8E,10E,12S)-5-[diethyl(propan-2-yl)silyl]oxy-12-methoxy-2,4,6,8-tetramethyl-12-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]dodeca-2,8,10-trienoate is CCOC(=O)/C(C)=C/[C@@H](C)[C@@H](O[Si](CC)(CC)C(C)C)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]1OC(C)(C)OC[C@@H]1C.
What is the InChIKey of ethyl (2E,4R,5S,6S,8E,10E,12S)-5-[diethyl(propan-2-yl)silyl]oxy-12-methoxy-2,4,6,8-tetramethyl-12-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]dodeca-2,8,10-trienoate?
The InChIKey is UTBWODWZUPYBLV-LOUVKRMFSA-N. The full InChI is InChI=1S/C33H60O6Si/c1-14-36-32(34)27(9)21-26(8)30(39-40(15-2,16-3)23(4)5)25(7)20-24(6)18-17-19-29(35-13)31-28(10)22-37-33(11,12)38-31/h17-19,21,23,25-26,28-31H,14-16,20,22H2,1-13H3/b19-17+,24-18+,27-21+/t25-,26+,28-,29-,30-,31+/m0/s1.
What are the key properties of ethyl (2E,4R,5S,6S,8E,10E,12S)-5-[diethyl(propan-2-yl)silyl]oxy-12-methoxy-2,4,6,8-tetramethyl-12-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]dodeca-2,8,10-trienoate?
ethyl (2E,4R,5S,6S,8E,10E,12S)-5-[diethyl(propan-2-yl)silyl]oxy-12-methoxy-2,4,6,8-tetramethyl-12-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]dodeca-2,8,10-trienoate has a molecular weight of 580.92 g/mol, XLogP of 8.24, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4R,5S,6S,8E,10E,12S)-5-[diethyl(propan-2-yl)silyl]oxy-12-methoxy-2,4,6,8-tetramethyl-12-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]dodeca-2,8,10-trienoate is sourced from PubChem (CID 10952006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).