tert-butyl-[3-[tert-butyl(diphenyl)silyl]oxy-5-ethylidene-4-methylidene-2-prop-2-enoxycyclohexyl]oxy-diphenylsilane

C44H54O3Si2 — CID 54131123

IUPACtert-butyl-[3-[tert-butyl(diphenyl)silyl]oxy-5-ethylidene-4-methylidene-2-prop-2-enoxycyclohexyl]oxy-diphenylsilane
SMILESC=CCOC1C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(=CC)C(=C)C1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C44H54O3Si2/c1-10-32-45-42-40(46-48(43(4,5)6,36-24-16-12-17-25-36)37-26-18-13-19-27-37)33-35(11-2)34(3)41(42)47-49(44(7,8)9,38-28-20-14-21-29-38)39-30-22-15-23-31-39/h10-31,40-42H,1,3,32-33H2,2,4-9H3
InChIKeyOWMIFQLWAMJBJJ-UHFFFAOYSA-N
MW687.09 g/mol
LogP8.35
Rot. Bonds11

About tert-butyl-[3-[tert-butyl(diphenyl)silyl]oxy-5-ethylidene-4-methylidene-2-prop-2-enoxycyclohexyl]oxy-diphenylsilane

tert-butyl-[3-[tert-butyl(diphenyl)silyl]oxy-5-ethylidene-4-methylidene-2-prop-2-enoxycyclohexyl]oxy-diphenylsilane (PubChem CID 54131123) has the molecular formula C44H54O3Si2 and a molecular weight of 687.09 g/mol. Its IUPAC name is tert-butyl-[3-[tert-butyl(diphenyl)silyl]oxy-5-ethylidene-4-methylidene-2-prop-2-enoxycyclohexyl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[tert-butyl(diphenyl)silyl]oxy-5-ethylidene-4-methylidene-2-prop-2-enoxycyclohexyl]oxy-diphenylsilane
PubChem CID54131123
Molecular FormulaC44H54O3Si2
Molecular Weight687.09 g/mol
Exact Mass686.36
IUPAC Nametert-butyl-[3-[tert-butyl(diphenyl)silyl]oxy-5-ethylidene-4-methylidene-2-prop-2-enoxycyclohexyl]oxy-diphenylsilane
SMILESC=CCOC1C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(=CC)C(=C)C1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C44H54O3Si2/c1-10-32-45-42-40(46-48(43(4,5)6,36-24-16-12-17-25-36)37-26-18-13-19-27-37)33-35(11-2)34(3)41(42)47-49(44(7,8)9,38-28-20-14-21-29-38)39-30-22-15-23-31-39/h10-31,40-42H,1,3,32-33H2,2,4-9H3
InChIKeyOWMIFQLWAMJBJJ-UHFFFAOYSA-N
XLogP8.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.09
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[3-[tert-butyl(diphenyl)silyl]oxy-5-ethylidene-4-methylidene-2-prop-2-enoxycyclohexyl]oxy-diphenylsilane 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

2,6-bis[[tert-butyl(diphenyl)silyl]oxy]-4-(2-hydroxyethylidene)-3-methylidenecyclohexan-1-ol
CID 54396942
(2Z)-2-[(3R,4R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]-2-methylidenecyclohexylidene]ethanol
CID 162404924
3-[tert-butyl(diphenyl)silyl]oxy-4-ethenylpyrrolidine-1-carboxylic acid
CID 67033690
2-[(3S,5S)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-methylidenecyclohexylidene]ethanol
CID 56989707
cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde
CID 58018792
tert-butyl-[(2S)-1-[(1R,2R)-2-ethenylcyclopropyl]propan-2-yl]oxy-diphenylsilane
CID 11175995
tert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane
CID 156858499
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
tert-butyl-[(1S,3S,5Z)-3-[tert-butyl(diphenyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)-4-methylidenecyclohexyl]oxy-diphenylsilane
CID 86754892
tert-butyl-[(2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethoxy]-diphenylsilane
CID 11519300
tert-butyl-[(1R,2R)-2,4-dimethylcyclopentyl]oxy-diphenylsilane
CID 158022147
(6S,7S,8E,8aS)-7-[tert-butyl(diphenyl)silyl]oxy-8-ethylidene-6-phenylmethoxy-5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 11813405

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[tert-butyl(diphenyl)silyl]oxy-5-ethylidene-4-methylidene-2-prop-2-enoxycyclohexyl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[3-[tert-butyl(diphenyl)silyl]oxy-5-ethylidene-4-methylidene-2-prop-2-enoxycyclohexyl]oxy-diphenylsilane (CID 54131123) is tert-butyl-[3-[tert-butyl(diphenyl)silyl]oxy-5-ethylidene-4-methylidene-2-prop-2-enoxycyclohexyl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[3-[tert-butyl(diphenyl)silyl]oxy-5-ethylidene-4-methylidene-2-prop-2-enoxycyclohexyl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[3-[tert-butyl(diphenyl)silyl]oxy-5-ethylidene-4-methylidene-2-prop-2-enoxycyclohexyl]oxy-diphenylsilane is C=CCOC1C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(=CC)C(=C)C1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[3-[tert-butyl(diphenyl)silyl]oxy-5-ethylidene-4-methylidene-2-prop-2-enoxycyclohexyl]oxy-diphenylsilane?
The InChIKey is OWMIFQLWAMJBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H54O3Si2/c1-10-32-45-42-40(46-48(43(4,5)6,36-24-16-12-17-25-36)37-26-18-13-19-27-37)33-35(11-2)34(3)41(42)47-49(44(7,8)9,38-28-20-14-21-29-38)39-30-22-15-23-31-39/h10-31,40-42H,1,3,32-33H2,2,4-9H3.
What are the key properties of tert-butyl-[3-[tert-butyl(diphenyl)silyl]oxy-5-ethylidene-4-methylidene-2-prop-2-enoxycyclohexyl]oxy-diphenylsilane?
tert-butyl-[3-[tert-butyl(diphenyl)silyl]oxy-5-ethylidene-4-methylidene-2-prop-2-enoxycyclohexyl]oxy-diphenylsilane has a molecular weight of 687.09 g/mol, XLogP of 8.35, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[tert-butyl(diphenyl)silyl]oxy-5-ethylidene-4-methylidene-2-prop-2-enoxycyclohexyl]oxy-diphenylsilane is sourced from PubChem (CID 54131123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).