(3E,9E,12S,15E,17R,19S,22R,23S,24R,26S)-3,12,16,17,24,26-hexamethyl-14-methylidene-17,19,22,23-tetrakis(triethylsilyloxy)-1-oxacyclohexacosa-3,9,15-triene-2,8,21-trione

C56H106O8Si4 — CID 24898432

IUPAC(3E,9E,12S,15E,17R,19S,22R,23S,24R,26S)-3,12,16,17,24,26-hexamethyl-14-methylidene-17,19,22,23-tetrakis(triethylsilyloxy)-1-oxacyclohexacosa-3,9,15-triene-2,8,21-trione
SMILESC=C1/C=C(\C)[C@](C)(O[Si](CC)(CC)CC)C[C@H](O[Si](CC)(CC)CC)CC(=O)[C@H](O[Si](CC)(CC)CC)[C@@H](O[Si](CC)(CC)CC)[C@H](C)C[C@H](C)OC(=O)/C(C)=C/CCCC(=O)/C=C/C[C@H](C)C1
InChIInChI=1S/C56H106O8Si4/c1-20-65(21-2,22-3)61-51-42-52(58)54(63-67(26-7,27-8)28-9)53(62-66(23-4,24-5)25-6)47(16)41-49(18)60-55(59)46(15)36-32-33-37-50(57)38-34-35-44(13)39-45(14)40-48(17)56(19,43-51)64-68(29-10,30-11)31-12/h34,36,38,40,44,47,49,51,53-54H,14,20-33,35,37,39,41-43H2,1-13,15-19H3/b38-34+,46-36+,48-40+/t44-,47+,49-,51+,53-,54-,56+/m0/s1
InChIKeyYWALLSZQXDSWHQ-BHQSLYOQSA-N
MW1019.80 g/mol
LogP16.42
Rot. Bonds20

About (3E,9E,12S,15E,17R,19S,22R,23S,24R,26S)-3,12,16,17,24,26-hexamethyl-14-methylidene-17,19,22,23-tetrakis(triethylsilyloxy)-1-oxacyclohexacosa-3,9,15-triene-2,8,21-trione

(3E,9E,12S,15E,17R,19S,22R,23S,24R,26S)-3,12,16,17,24,26-hexamethyl-14-methylidene-17,19,22,23-tetrakis(triethylsilyloxy)-1-oxacyclohexacosa-3,9,15-triene-2,8,21-trione (PubChem CID 24898432) has the molecular formula C56H106O8Si4 and a molecular weight of 1019.80 g/mol. Its IUPAC name is (3E,9E,12S,15E,17R,19S,22R,23S,24R,26S)-3,12,16,17,24,26-hexamethyl-14-methylidene-17,19,22,23-tetrakis(triethylsilyloxy)-1-oxacyclohexacosa-3,9,15-triene-2,8,21-trione.

Molecular Properties

Compound Name(3E,9E,12S,15E,17R,19S,22R,23S,24R,26S)-3,12,16,17,24,26-hexamethyl-14-methylidene-17,19,22,23-tetrakis(triethylsilyloxy)-1-oxacyclohexacosa-3,9,15-triene-2,8,21-trione
PubChem CID24898432
Molecular FormulaC56H106O8Si4
Molecular Weight1019.80 g/mol
Exact Mass1018.70
IUPAC Name(3E,9E,12S,15E,17R,19S,22R,23S,24R,26S)-3,12,16,17,24,26-hexamethyl-14-methylidene-17,19,22,23-tetrakis(triethylsilyloxy)-1-oxacyclohexacosa-3,9,15-triene-2,8,21-trione
SMILESC=C1/C=C(\C)[C@](C)(O[Si](CC)(CC)CC)C[C@H](O[Si](CC)(CC)CC)CC(=O)[C@H](O[Si](CC)(CC)CC)[C@@H](O[Si](CC)(CC)CC)[C@H](C)C[C@H](C)OC(=O)/C(C)=C/CCCC(=O)/C=C/C[C@H](C)C1
InChIInChI=1S/C56H106O8Si4/c1-20-65(21-2,22-3)61-51-42-52(58)54(63-67(26-7,27-8)28-9)53(62-66(23-4,24-5)25-6)47(16)41-49(18)60-55(59)46(15)36-32-33-37-50(57)38-34-35-44(13)39-45(14)40-48(17)56(19,43-51)64-68(29-10,30-11)31-12/h34,36,38,40,44,47,49,51,53-54H,14,20-33,35,37,39,41-43H2,1-13,15-19H3/b38-34+,46-36+,48-40+/t44-,47+,49-,51+,53-,54-,56+/m0/s1
InChIKeyYWALLSZQXDSWHQ-BHQSLYOQSA-N
XLogP16.42
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001019.80
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (3E,9E,12S,15E,17R,19S,22R,23S,24R,26S)-3,12,16,17,24,26-hexamethyl-14-methylidene-17,19,22,23-tetrakis(triethylsilyloxy)-1-oxacyclohexacosa-3,9,15-triene-2,8,21-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3E,9E,12S,15E,17R,19S,22R,23S,24R,26S)-3,12,16,17,24,26-hexamethyl-14-methylidene-17,19,22,23-tetrakis(triethylsilyloxy)-1-oxacyclohexacosa-3,9,15-triene-2,8,21-trione?
The IUPAC name of (3E,9E,12S,15E,17R,19S,22R,23S,24R,26S)-3,12,16,17,24,26-hexamethyl-14-methylidene-17,19,22,23-tetrakis(triethylsilyloxy)-1-oxacyclohexacosa-3,9,15-triene-2,8,21-trione (CID 24898432) is (3E,9E,12S,15E,17R,19S,22R,23S,24R,26S)-3,12,16,17,24,26-hexamethyl-14-methylidene-17,19,22,23-tetrakis(triethylsilyloxy)-1-oxacyclohexacosa-3,9,15-triene-2,8,21-trione.
What is the SMILES notation for (3E,9E,12S,15E,17R,19S,22R,23S,24R,26S)-3,12,16,17,24,26-hexamethyl-14-methylidene-17,19,22,23-tetrakis(triethylsilyloxy)-1-oxacyclohexacosa-3,9,15-triene-2,8,21-trione?
The canonical SMILES for (3E,9E,12S,15E,17R,19S,22R,23S,24R,26S)-3,12,16,17,24,26-hexamethyl-14-methylidene-17,19,22,23-tetrakis(triethylsilyloxy)-1-oxacyclohexacosa-3,9,15-triene-2,8,21-trione is C=C1/C=C(\C)[C@](C)(O[Si](CC)(CC)CC)C[C@H](O[Si](CC)(CC)CC)CC(=O)[C@H](O[Si](CC)(CC)CC)[C@@H](O[Si](CC)(CC)CC)[C@H](C)C[C@H](C)OC(=O)/C(C)=C/CCCC(=O)/C=C/C[C@H](C)C1.
What is the InChIKey of (3E,9E,12S,15E,17R,19S,22R,23S,24R,26S)-3,12,16,17,24,26-hexamethyl-14-methylidene-17,19,22,23-tetrakis(triethylsilyloxy)-1-oxacyclohexacosa-3,9,15-triene-2,8,21-trione?
The InChIKey is YWALLSZQXDSWHQ-BHQSLYOQSA-N. The full InChI is InChI=1S/C56H106O8Si4/c1-20-65(21-2,22-3)61-51-42-52(58)54(63-67(26-7,27-8)28-9)53(62-66(23-4,24-5)25-6)47(16)41-49(18)60-55(59)46(15)36-32-33-37-50(57)38-34-35-44(13)39-45(14)40-48(17)56(19,43-51)64-68(29-10,30-11)31-12/h34,36,38,40,44,47,49,51,53-54H,14,20-33,35,37,39,41-43H2,1-13,15-19H3/b38-34+,46-36+,48-40+/t44-,47+,49-,51+,53-,54-,56+/m0/s1.
What are the key properties of (3E,9E,12S,15E,17R,19S,22R,23S,24R,26S)-3,12,16,17,24,26-hexamethyl-14-methylidene-17,19,22,23-tetrakis(triethylsilyloxy)-1-oxacyclohexacosa-3,9,15-triene-2,8,21-trione?
(3E,9E,12S,15E,17R,19S,22R,23S,24R,26S)-3,12,16,17,24,26-hexamethyl-14-methylidene-17,19,22,23-tetrakis(triethylsilyloxy)-1-oxacyclohexacosa-3,9,15-triene-2,8,21-trione has a molecular weight of 1019.80 g/mol, XLogP of 16.42, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,9E,12S,15E,17R,19S,22R,23S,24R,26S)-3,12,16,17,24,26-hexamethyl-14-methylidene-17,19,22,23-tetrakis(triethylsilyloxy)-1-oxacyclohexacosa-3,9,15-triene-2,8,21-trione is sourced from PubChem (CID 24898432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).