tert-butyl-dimethyl-[3-[(S)-phenyl(prop-2-enoxy)methyl]penta-1,4-dien-3-yloxy]silane

C21H32O2Si — CID 10521411

IUPACtert-butyl-dimethyl-[3-[(S)-phenyl(prop-2-enoxy)methyl]penta-1,4-dien-3-yloxy]silane
SMILESC=CCO[C@@H](c1ccccc1)C(C=C)(C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H32O2Si/c1-9-17-22-19(18-15-13-12-14-16-18)21(10-2,11-3)23-24(7,8)20(4,5)6/h9-16,19H,1-3,17H2,4-8H3/t19-/m0/s1
InChIKeyCRFKLUNIYXRSLI-IBGZPJMESA-N
MW344.57 g/mol
LogP6.06
Rot. Bonds9

About tert-butyl-dimethyl-[3-[(S)-phenyl(prop-2-enoxy)methyl]penta-1,4-dien-3-yloxy]silane

tert-butyl-dimethyl-[3-[(S)-phenyl(prop-2-enoxy)methyl]penta-1,4-dien-3-yloxy]silane (PubChem CID 10521411) has the molecular formula C21H32O2Si and a molecular weight of 344.57 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-[(S)-phenyl(prop-2-enoxy)methyl]penta-1,4-dien-3-yloxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-[(S)-phenyl(prop-2-enoxy)methyl]penta-1,4-dien-3-yloxy]silane
PubChem CID10521411
Molecular FormulaC21H32O2Si
Molecular Weight344.57 g/mol
Exact Mass344.22
IUPAC Nametert-butyl-dimethyl-[3-[(S)-phenyl(prop-2-enoxy)methyl]penta-1,4-dien-3-yloxy]silane
SMILESC=CCO[C@@H](c1ccccc1)C(C=C)(C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H32O2Si/c1-9-17-22-19(18-15-13-12-14-16-18)21(10-2,11-3)23-24(7,8)20(4,5)6/h9-16,19H,1-3,17H2,4-8H3/t19-/m0/s1
InChIKeyCRFKLUNIYXRSLI-IBGZPJMESA-N
XLogP6.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.57
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-Diphenyl-1,4-dioxane
CID 271103
Tert-butyl diphenylmethyl ether
CID 255804
ST50998416
CID 5113393
Benzene, (1-methyl-1-(2-propen-1-yloxy)ethyl)-
CID 112323
(3R,6R)-3-(benzyloxymethyl)-6-methyl-3,6-dihydro-1,2-dioxine
CID 16727779
(1,2-Dimethoxyethyl)benzene
CID 578105
{1-[(Propan-2-yl)oxy]ethyl}benzene
CID 15584172
1,1'-(1,2-Dimethoxyethane-1,2-diyl)dibenzene
CID 291043
(1-Ethoxypropyl)benzene
CID 316701
Silane, trimethyl(1-phenylethoxy)-
CID 519015
1,2-Ethanediol, phenyl, bis-TMS
CID 530367
1-Propanol, 1-phenyl, TMS
CID 530376

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[3-[(S)-phenyl(prop-2-enoxy)methyl]penta-1,4-dien-3-yloxy]silane?
The IUPAC name of tert-butyl-dimethyl-[3-[(S)-phenyl(prop-2-enoxy)methyl]penta-1,4-dien-3-yloxy]silane (CID 10521411) is tert-butyl-dimethyl-[3-[(S)-phenyl(prop-2-enoxy)methyl]penta-1,4-dien-3-yloxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[3-[(S)-phenyl(prop-2-enoxy)methyl]penta-1,4-dien-3-yloxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[3-[(S)-phenyl(prop-2-enoxy)methyl]penta-1,4-dien-3-yloxy]silane is C=CCO[C@@H](c1ccccc1)C(C=C)(C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[3-[(S)-phenyl(prop-2-enoxy)methyl]penta-1,4-dien-3-yloxy]silane?
The InChIKey is CRFKLUNIYXRSLI-IBGZPJMESA-N. The full InChI is InChI=1S/C21H32O2Si/c1-9-17-22-19(18-15-13-12-14-16-18)21(10-2,11-3)23-24(7,8)20(4,5)6/h9-16,19H,1-3,17H2,4-8H3/t19-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[3-[(S)-phenyl(prop-2-enoxy)methyl]penta-1,4-dien-3-yloxy]silane?
tert-butyl-dimethyl-[3-[(S)-phenyl(prop-2-enoxy)methyl]penta-1,4-dien-3-yloxy]silane has a molecular weight of 344.57 g/mol, XLogP of 6.06, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-[(S)-phenyl(prop-2-enoxy)methyl]penta-1,4-dien-3-yloxy]silane is sourced from PubChem (CID 10521411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).