(4S,7R,8S,9S,10E,13Z,16S)-16-acetyl-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-5,5,7,9,13-pentamethyl-1-oxacyclohexadeca-10,13-diene-2,6-dione

C34H62O6Si2 — CID 46193183

IUPAC(4S,7R,8S,9S,10E,13Z,16S)-16-acetyl-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-5,5,7,9,13-pentamethyl-1-oxacyclohexadeca-10,13-diene-2,6-dione
SMILESCC(=O)[C@@H]1C/C=C(/C)C/C=C/[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C(C)(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1
InChIInChI=1S/C34H62O6Si2/c1-23-18-17-19-24(2)30(40-42(15,16)33(8,9)10)25(3)31(37)34(11,12)28(39-41(13,14)32(5,6)7)22-29(36)38-27(21-20-23)26(4)35/h17,19-20,24-25,27-28,30H,18,21-22H2,1-16H3/b19-17+,23-20-/t24-,25+,27-,28-,30-/m0/s1
InChIKeyULEUSNWURHOBCE-MJDZDHPDSA-N
MW623.04 g/mol
LogP8.82
Rot. Bonds5

About (4S,7R,8S,9S,10E,13Z,16S)-16-acetyl-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-5,5,7,9,13-pentamethyl-1-oxacyclohexadeca-10,13-diene-2,6-dione

(4S,7R,8S,9S,10E,13Z,16S)-16-acetyl-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-5,5,7,9,13-pentamethyl-1-oxacyclohexadeca-10,13-diene-2,6-dione (PubChem CID 46193183) has the molecular formula C34H62O6Si2 and a molecular weight of 623.04 g/mol. Its IUPAC name is (4S,7R,8S,9S,10E,13Z,16S)-16-acetyl-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-5,5,7,9,13-pentamethyl-1-oxacyclohexadeca-10,13-diene-2,6-dione.

Molecular Properties

Compound Name(4S,7R,8S,9S,10E,13Z,16S)-16-acetyl-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-5,5,7,9,13-pentamethyl-1-oxacyclohexadeca-10,13-diene-2,6-dione
PubChem CID46193183
Molecular FormulaC34H62O6Si2
Molecular Weight623.04 g/mol
Exact Mass622.41
IUPAC Name(4S,7R,8S,9S,10E,13Z,16S)-16-acetyl-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-5,5,7,9,13-pentamethyl-1-oxacyclohexadeca-10,13-diene-2,6-dione
SMILESCC(=O)[C@@H]1C/C=C(/C)C/C=C/[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C(C)(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1
InChIInChI=1S/C34H62O6Si2/c1-23-18-17-19-24(2)30(40-42(15,16)33(8,9)10)25(3)31(37)34(11,12)28(39-41(13,14)32(5,6)7)22-29(36)38-27(21-20-23)26(4)35/h17,19-20,24-25,27-28,30H,18,21-22H2,1-16H3/b19-17+,23-20-/t24-,25+,27-,28-,30-/m0/s1
InChIKeyULEUSNWURHOBCE-MJDZDHPDSA-N
XLogP8.82
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.04
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4S,7R,8S,9S,10E,13Z,16S)-16-acetyl-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-5,5,7,9,13-pentamethyl-1-oxacyclohexadeca-10,13-diene-2,6-dione 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 (4S,7R,8S,9S,10E,13Z,16S)-16-acetyl-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-5,5,7,9,13-pentamethyl-1-oxacyclohexadeca-10,13-diene-2,6-dione?
The IUPAC name of (4S,7R,8S,9S,10E,13Z,16S)-16-acetyl-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-5,5,7,9,13-pentamethyl-1-oxacyclohexadeca-10,13-diene-2,6-dione (CID 46193183) is (4S,7R,8S,9S,10E,13Z,16S)-16-acetyl-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-5,5,7,9,13-pentamethyl-1-oxacyclohexadeca-10,13-diene-2,6-dione.
What is the SMILES notation for (4S,7R,8S,9S,10E,13Z,16S)-16-acetyl-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-5,5,7,9,13-pentamethyl-1-oxacyclohexadeca-10,13-diene-2,6-dione?
The canonical SMILES for (4S,7R,8S,9S,10E,13Z,16S)-16-acetyl-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-5,5,7,9,13-pentamethyl-1-oxacyclohexadeca-10,13-diene-2,6-dione is CC(=O)[C@@H]1C/C=C(/C)C/C=C/[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C(C)(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1.
What is the InChIKey of (4S,7R,8S,9S,10E,13Z,16S)-16-acetyl-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-5,5,7,9,13-pentamethyl-1-oxacyclohexadeca-10,13-diene-2,6-dione?
The InChIKey is ULEUSNWURHOBCE-MJDZDHPDSA-N. The full InChI is InChI=1S/C34H62O6Si2/c1-23-18-17-19-24(2)30(40-42(15,16)33(8,9)10)25(3)31(37)34(11,12)28(39-41(13,14)32(5,6)7)22-29(36)38-27(21-20-23)26(4)35/h17,19-20,24-25,27-28,30H,18,21-22H2,1-16H3/b19-17+,23-20-/t24-,25+,27-,28-,30-/m0/s1.
What are the key properties of (4S,7R,8S,9S,10E,13Z,16S)-16-acetyl-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-5,5,7,9,13-pentamethyl-1-oxacyclohexadeca-10,13-diene-2,6-dione?
(4S,7R,8S,9S,10E,13Z,16S)-16-acetyl-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-5,5,7,9,13-pentamethyl-1-oxacyclohexadeca-10,13-diene-2,6-dione has a molecular weight of 623.04 g/mol, XLogP of 8.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7R,8S,9S,10E,13Z,16S)-16-acetyl-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-5,5,7,9,13-pentamethyl-1-oxacyclohexadeca-10,13-diene-2,6-dione is sourced from PubChem (CID 46193183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).