prop-2-enyl (E,2R,3S,4S,5R,6S,7R,10S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4,6,8,10-tetramethyl-11-oxo-5-triethylsilyloxydodec-8-enoate

C38H76O7Si3 — CID 11468249

IUPACprop-2-enyl (E,2R,3S,4S,5R,6S,7R,10S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4,6,8,10-tetramethyl-11-oxo-5-triethylsilyloxydodec-8-enoate
SMILESC=CCOC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)[C@H](C)[C@@H](O[Si](CC)(CC)CC)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/[C@H](C)C(C)=O
InChIInChI=1S/C38H76O7Si3/c1-21-25-42-36(40)35(44-47(19,20)38(13,14)15)34(41-16)30(8)33(45-48(22-2,23-3)24-4)29(7)32(28(6)26-27(5)31(9)39)43-46(17,18)37(10,11)12/h21,26-27,29-30,32-35H,1,22-25H2,2-20H3/b28-26+/t27-,29+,30+,32-,33-,34-,35+/m0/s1
InChIKeyKOJXPLKWYDVYHE-GZSLTMFWSA-N
MW729.28 g/mol
LogP10.35
Rot. Bonds21

About prop-2-enyl (E,2R,3S,4S,5R,6S,7R,10S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4,6,8,10-tetramethyl-11-oxo-5-triethylsilyloxydodec-8-enoate

prop-2-enyl (E,2R,3S,4S,5R,6S,7R,10S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4,6,8,10-tetramethyl-11-oxo-5-triethylsilyloxydodec-8-enoate (PubChem CID 11468249) has the molecular formula C38H76O7Si3 and a molecular weight of 729.28 g/mol. Its IUPAC name is prop-2-enyl (E,2R,3S,4S,5R,6S,7R,10S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4,6,8,10-tetramethyl-11-oxo-5-triethylsilyloxydodec-8-enoate.

Molecular Properties

Compound Nameprop-2-enyl (E,2R,3S,4S,5R,6S,7R,10S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4,6,8,10-tetramethyl-11-oxo-5-triethylsilyloxydodec-8-enoate
PubChem CID11468249
Molecular FormulaC38H76O7Si3
Molecular Weight729.28 g/mol
Exact Mass728.49
IUPAC Nameprop-2-enyl (E,2R,3S,4S,5R,6S,7R,10S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4,6,8,10-tetramethyl-11-oxo-5-triethylsilyloxydodec-8-enoate
SMILESC=CCOC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)[C@H](C)[C@@H](O[Si](CC)(CC)CC)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/[C@H](C)C(C)=O
InChIInChI=1S/C38H76O7Si3/c1-21-25-42-36(40)35(44-47(19,20)38(13,14)15)34(41-16)30(8)33(45-48(22-2,23-3)24-4)29(7)32(28(6)26-27(5)31(9)39)43-46(17,18)37(10,11)12/h21,26-27,29-30,32-35H,1,22-25H2,2-20H3/b28-26+/t27-,29+,30+,32-,33-,34-,35+/m0/s1
InChIKeyKOJXPLKWYDVYHE-GZSLTMFWSA-N
XLogP10.35
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.28
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze prop-2-enyl (E,2R,3S,4S,5R,6S,7R,10S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4,6,8,10-tetramethyl-11-oxo-5-triethylsilyloxydodec-8-enoate 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 prop-2-enyl (E,2R,3S,4S,5R,6S,7R,10S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4,6,8,10-tetramethyl-11-oxo-5-triethylsilyloxydodec-8-enoate?
The IUPAC name of prop-2-enyl (E,2R,3S,4S,5R,6S,7R,10S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4,6,8,10-tetramethyl-11-oxo-5-triethylsilyloxydodec-8-enoate (CID 11468249) is prop-2-enyl (E,2R,3S,4S,5R,6S,7R,10S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4,6,8,10-tetramethyl-11-oxo-5-triethylsilyloxydodec-8-enoate.
What is the SMILES notation for prop-2-enyl (E,2R,3S,4S,5R,6S,7R,10S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4,6,8,10-tetramethyl-11-oxo-5-triethylsilyloxydodec-8-enoate?
The canonical SMILES for prop-2-enyl (E,2R,3S,4S,5R,6S,7R,10S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4,6,8,10-tetramethyl-11-oxo-5-triethylsilyloxydodec-8-enoate is C=CCOC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC)[C@H](C)[C@@H](O[Si](CC)(CC)CC)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/[C@H](C)C(C)=O.
What is the InChIKey of prop-2-enyl (E,2R,3S,4S,5R,6S,7R,10S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4,6,8,10-tetramethyl-11-oxo-5-triethylsilyloxydodec-8-enoate?
The InChIKey is KOJXPLKWYDVYHE-GZSLTMFWSA-N. The full InChI is InChI=1S/C38H76O7Si3/c1-21-25-42-36(40)35(44-47(19,20)38(13,14)15)34(41-16)30(8)33(45-48(22-2,23-3)24-4)29(7)32(28(6)26-27(5)31(9)39)43-46(17,18)37(10,11)12/h21,26-27,29-30,32-35H,1,22-25H2,2-20H3/b28-26+/t27-,29+,30+,32-,33-,34-,35+/m0/s1.
What are the key properties of prop-2-enyl (E,2R,3S,4S,5R,6S,7R,10S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4,6,8,10-tetramethyl-11-oxo-5-triethylsilyloxydodec-8-enoate?
prop-2-enyl (E,2R,3S,4S,5R,6S,7R,10S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4,6,8,10-tetramethyl-11-oxo-5-triethylsilyloxydodec-8-enoate has a molecular weight of 729.28 g/mol, XLogP of 10.35, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (E,2R,3S,4S,5R,6S,7R,10S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4,6,8,10-tetramethyl-11-oxo-5-triethylsilyloxydodec-8-enoate is sourced from PubChem (CID 11468249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).