(2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedial

C20H38O4Si2 — CID 101166727

IUPAC(2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedial
SMILESCC(C)(C)[Si](C)(C)O[C@@H](/C=C/C=O)[C@H](/C=C/C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O4Si2/c1-19(2,3)25(7,8)23-17(13-11-15-21)18(14-12-16-22)24-26(9,10)20(4,5)6/h11-18H,1-10H3/b13-11+,14-12+/t17-,18-/m0/s1
InChIKeyCWNDPMOROWOOIL-KGMIGHOGSA-N
MW398.69 g/mol
LogP5.28
Rot. Bonds9

About (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedial

(2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedial (PubChem CID 101166727) has the molecular formula C20H38O4Si2 and a molecular weight of 398.69 g/mol. Its IUPAC name is (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedial.

Molecular Properties

Compound Name(2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedial
PubChem CID101166727
Molecular FormulaC20H38O4Si2
Molecular Weight398.69 g/mol
Exact Mass398.23
IUPAC Name(2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedial
SMILESCC(C)(C)[Si](C)(C)O[C@@H](/C=C/C=O)[C@H](/C=C/C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O4Si2/c1-19(2,3)25(7,8)23-17(13-11-15-21)18(14-12-16-22)24-26(9,10)20(4,5)6/h11-18H,1-10H3/b13-11+,14-12+/t17-,18-/m0/s1
InChIKeyCWNDPMOROWOOIL-KGMIGHOGSA-N
XLogP5.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.69
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedial 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 (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedial?
The IUPAC name of (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedial (CID 101166727) is (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedial.
What is the SMILES notation for (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedial?
The canonical SMILES for (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedial is CC(C)(C)[Si](C)(C)O[C@@H](/C=C/C=O)[C@H](/C=C/C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedial?
The InChIKey is CWNDPMOROWOOIL-KGMIGHOGSA-N. The full InChI is InChI=1S/C20H38O4Si2/c1-19(2,3)25(7,8)23-17(13-11-15-21)18(14-12-16-22)24-26(9,10)20(4,5)6/h11-18H,1-10H3/b13-11+,14-12+/t17-,18-/m0/s1.
What are the key properties of (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedial?
(2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedial has a molecular weight of 398.69 g/mol, XLogP of 5.28, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedial is sourced from PubChem (CID 101166727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).