(1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hepta-1,5-dien-3-ol

C25H50O5Si2 — CID 10051128

IUPAC(1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hepta-1,5-dien-3-ol
SMILESC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)/C=C/[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H50O5Si2/c1-14-15-20(30-32(12,13)24(5,6)7)19(26)16-17-21-22(29-25(8,9)28-21)18-27-31(10,11)23(2,3)4/h14-17,19-22,26H,18H2,1-13H3/b15-14+,17-16+/t19-,20-,21-,22-/m0/s1
InChIKeyAHZDXCYHZXBUMI-GOSNGDMJSA-N
MW486.84 g/mol
LogP6.41
Rot. Bonds9

About (1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hepta-1,5-dien-3-ol

(1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hepta-1,5-dien-3-ol (PubChem CID 10051128) has the molecular formula C25H50O5Si2 and a molecular weight of 486.84 g/mol. Its IUPAC name is (1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hepta-1,5-dien-3-ol.

Molecular Properties

Compound Name(1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hepta-1,5-dien-3-ol
PubChem CID10051128
Molecular FormulaC25H50O5Si2
Molecular Weight486.84 g/mol
Exact Mass486.32
IUPAC Name(1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hepta-1,5-dien-3-ol
SMILESC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)/C=C/[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H50O5Si2/c1-14-15-20(30-32(12,13)24(5,6)7)19(26)16-17-21-22(29-25(8,9)28-21)18-27-31(10,11)23(2,3)4/h14-17,19-22,26H,18H2,1-13H3/b15-14+,17-16+/t19-,20-,21-,22-/m0/s1
InChIKeyAHZDXCYHZXBUMI-GOSNGDMJSA-N
XLogP6.41
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.84
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hepta-1,5-dien-3-ol 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 (1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hepta-1,5-dien-3-ol?
The IUPAC name of (1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hepta-1,5-dien-3-ol (CID 10051128) is (1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hepta-1,5-dien-3-ol.
What is the SMILES notation for (1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hepta-1,5-dien-3-ol?
The canonical SMILES for (1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hepta-1,5-dien-3-ol is C/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)/C=C/[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hepta-1,5-dien-3-ol?
The InChIKey is AHZDXCYHZXBUMI-GOSNGDMJSA-N. The full InChI is InChI=1S/C25H50O5Si2/c1-14-15-20(30-32(12,13)24(5,6)7)19(26)16-17-21-22(29-25(8,9)28-21)18-27-31(10,11)23(2,3)4/h14-17,19-22,26H,18H2,1-13H3/b15-14+,17-16+/t19-,20-,21-,22-/m0/s1.
What are the key properties of (1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hepta-1,5-dien-3-ol?
(1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hepta-1,5-dien-3-ol has a molecular weight of 486.84 g/mol, XLogP of 6.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hepta-1,5-dien-3-ol is sourced from PubChem (CID 10051128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).