tert-butyl-[3-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]-4-trimethylsilyloxycyclohex-2-en-1-yl]oxy-dimethylsilane

C26H52O3Si3 — CID 11113802

IUPACtert-butyl-[3-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]-4-trimethylsilyloxycyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESC=C/C=C(/CO[Si](C)(C)C(C)(C)C)C1=CC(O[Si](C)(C)C(C)(C)C)CCC1O[Si](C)(C)C
InChIInChI=1S/C26H52O3Si3/c1-15-16-21(20-27-31(11,12)25(2,3)4)23-19-22(28-32(13,14)26(5,6)7)17-18-24(23)29-30(8,9)10/h15-16,19,22,24H,1,17-18,20H2,2-14H3/b21-16-
InChIKeyIVZRSPJEEYMFLM-PGMHBOJBSA-N
MW496.96 g/mol
LogP8.45
Rot. Bonds9

About tert-butyl-[3-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]-4-trimethylsilyloxycyclohex-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[3-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]-4-trimethylsilyloxycyclohex-2-en-1-yl]oxy-dimethylsilane (PubChem CID 11113802) has the molecular formula C26H52O3Si3 and a molecular weight of 496.96 g/mol. Its IUPAC name is tert-butyl-[3-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]-4-trimethylsilyloxycyclohex-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]-4-trimethylsilyloxycyclohex-2-en-1-yl]oxy-dimethylsilane
PubChem CID11113802
Molecular FormulaC26H52O3Si3
Molecular Weight496.96 g/mol
Exact Mass496.32
IUPAC Nametert-butyl-[3-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]-4-trimethylsilyloxycyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESC=C/C=C(/CO[Si](C)(C)C(C)(C)C)C1=CC(O[Si](C)(C)C(C)(C)C)CCC1O[Si](C)(C)C
InChIInChI=1S/C26H52O3Si3/c1-15-16-21(20-27-31(11,12)25(2,3)4)23-19-22(28-32(13,14)26(5,6)7)17-18-24(23)29-30(8,9)10/h15-16,19,22,24H,1,17-18,20H2,2-14H3/b21-16-
InChIKeyIVZRSPJEEYMFLM-PGMHBOJBSA-N
XLogP8.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.96
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[3-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]-4-trimethylsilyloxycyclohex-2-en-1-yl]oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S,6S,8S)-6-[(tert-Butyldimethylsilyl)oxy]-2,2,3,3,8,10,10,11,11-nonamethyl-5-[(1E,3E)-2-methyl-4-(tributylstannyl)buta-1,3-dien-1-yl]-4,9-dioxa-3,10-disiladodecane
CID 131741561
Agn-PC-0ndtpk
CID 10977517
tert-butyl-[(2E)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilyloxycyclopenten-1-yl]penta-2,4-dienoxy]-dimethylsilane
CID 11038372
7-Cyclohexa-1,4-dien-1-ylhept-1-en-4-yloxy-tri(propan-2-yl)silane
CID 11068043
tert-butyl-[(6Z,8E)-henicosa-6,8-dien-11-yl]oxy-dimethylsilane
CID 11327675
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylcyclohept-3-en-1-yl]oxy-dimethylsilane
CID 12162138
tert-butyl-[(1R,4E)-3-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-en-2-yl]-4-(trimethylsilylmethylidene)cyclohex-2-en-1-yl]oxy-dimethylsilane
CID 101414672
tert-butyl-[(1R,4E)-3-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-yl]-4-(trimethylsilylmethylidene)cyclohex-2-en-1-yl]oxy-dimethylsilane
CID 101414674
tert-butyl-dimethyl-[(7E)-7-methyl-3-methylidenedeca-1,7,9-trien-4-yl]oxysilane
CID 101616273
[(2E,11E)-7,16-dimethylidene-10-triethylsilyloxycyclooctadeca-2,11-dien-1-yl]oxy-triethylsilane
CID 134930766
[(E,1R,5R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1-(2-methylidenepent-4-enyl)non-3-enoxy]-tert-butyl-dimethylsilane
CID 134960457
Tert-butyl-[[6-(1-ethoxyethylidene)cyclohexen-1-yl]methoxy]-dimethylsilane
CID 134974873

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]-4-trimethylsilyloxycyclohex-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[3-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]-4-trimethylsilyloxycyclohex-2-en-1-yl]oxy-dimethylsilane (CID 11113802) is tert-butyl-[3-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]-4-trimethylsilyloxycyclohex-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]-4-trimethylsilyloxycyclohex-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[3-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]-4-trimethylsilyloxycyclohex-2-en-1-yl]oxy-dimethylsilane is C=C/C=C(/CO[Si](C)(C)C(C)(C)C)C1=CC(O[Si](C)(C)C(C)(C)C)CCC1O[Si](C)(C)C.
What is the InChIKey of tert-butyl-[3-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]-4-trimethylsilyloxycyclohex-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is IVZRSPJEEYMFLM-PGMHBOJBSA-N. The full InChI is InChI=1S/C26H52O3Si3/c1-15-16-21(20-27-31(11,12)25(2,3)4)23-19-22(28-32(13,14)26(5,6)7)17-18-24(23)29-30(8,9)10/h15-16,19,22,24H,1,17-18,20H2,2-14H3/b21-16-.
What are the key properties of tert-butyl-[3-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]-4-trimethylsilyloxycyclohex-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[3-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]-4-trimethylsilyloxycyclohex-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 496.96 g/mol, XLogP of 8.45, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]-4-trimethylsilyloxycyclohex-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 11113802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).