tert-butyl-[(Z)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylpent-4-enoxy]-diphenylsilane

C27H38O3Si — CID 23242491

IUPACtert-butyl-[(Z)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylpent-4-enoxy]-diphenylsilane
SMILESC/C(=C/C1COC(C)(C)O1)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H38O3Si/c1-22(20-23-21-28-27(5,6)30-23)14-13-19-29-31(26(2,3)4,24-15-9-7-10-16-24)25-17-11-8-12-18-25/h7-12,15-18,20,23H,13-14,19,21H2,1-6H3/b22-20-
InChIKeyGNYIMIMIXBTNCJ-XDOYNYLZSA-N
MW438.68 g/mol
LogP5.44
Rot. Bonds8

About tert-butyl-[(Z)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylpent-4-enoxy]-diphenylsilane

tert-butyl-[(Z)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylpent-4-enoxy]-diphenylsilane (PubChem CID 23242491) has the molecular formula C27H38O3Si and a molecular weight of 438.68 g/mol. Its IUPAC name is tert-butyl-[(Z)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylpent-4-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylpent-4-enoxy]-diphenylsilane
PubChem CID23242491
Molecular FormulaC27H38O3Si
Molecular Weight438.68 g/mol
Exact Mass438.26
IUPAC Nametert-butyl-[(Z)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylpent-4-enoxy]-diphenylsilane
SMILESC/C(=C/C1COC(C)(C)O1)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H38O3Si/c1-22(20-23-21-28-27(5,6)30-23)14-13-19-29-31(26(2,3)4,24-15-9-7-10-16-24)25-17-11-8-12-18-25/h7-12,15-18,20,23H,13-14,19,21H2,1-6H3/b22-20-
InChIKeyGNYIMIMIXBTNCJ-XDOYNYLZSA-N
XLogP5.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.68
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[2-[2-[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-1,3-dioxolan-2-yl]ethoxy]-diphenylsilane
CID 101419414
methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhex-2-enoate
CID 99772672
(1S)-7-[tert-butyl(diphenyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-yn-1-ol
CID 11155554
5-[tert-butyl(diphenyl)silyl]oxy-2-methylidenepentanal
CID 10665724
tert-butyl-[4-(1,4-dioxaspiro[4.5]decan-3-yl)butoxy]-diphenylsilane
CID 102251326
tert-butyl-[(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-2-methylpentoxy]-diphenylsilane
CID 141485300
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
tert-butyl-diphenyl-(4-phenylpent-4-enoxy)silane
CID 71605136
(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol
CID 135030069
tert-butyl-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-diphenylsilane
CID 100941395
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
3-[2-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-5-yl]methyl]phenyl]propanoic acid
CID 18944151

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylpent-4-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(Z)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylpent-4-enoxy]-diphenylsilane (CID 23242491) is tert-butyl-[(Z)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylpent-4-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(Z)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylpent-4-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(Z)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylpent-4-enoxy]-diphenylsilane is C/C(=C/C1COC(C)(C)O1)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylpent-4-enoxy]-diphenylsilane?
The InChIKey is GNYIMIMIXBTNCJ-XDOYNYLZSA-N. The full InChI is InChI=1S/C27H38O3Si/c1-22(20-23-21-28-27(5,6)30-23)14-13-19-29-31(26(2,3)4,24-15-9-7-10-16-24)25-17-11-8-12-18-25/h7-12,15-18,20,23H,13-14,19,21H2,1-6H3/b22-20-.
What are the key properties of tert-butyl-[(Z)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylpent-4-enoxy]-diphenylsilane?
tert-butyl-[(Z)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylpent-4-enoxy]-diphenylsilane has a molecular weight of 438.68 g/mol, XLogP of 5.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylpent-4-enoxy]-diphenylsilane is sourced from PubChem (CID 23242491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).