tert-butyl-[(E)-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(oxan-2-yloxy)hept-6-enoxy]-dimethylsilane

C23H44O5Si — CID 10836308

IUPACtert-butyl-[(E)-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(oxan-2-yloxy)hept-6-enoxy]-dimethylsilane
SMILESCC1(C)OC[C@H](/C=C/C(CCCCO[Si](C)(C)C(C)(C)C)OC2CCCCO2)O1
InChIInChI=1S/C23H44O5Si/c1-22(2,3)29(6,7)26-17-11-8-12-19(27-21-13-9-10-16-24-21)14-15-20-18-25-23(4,5)28-20/h14-15,19-21H,8-13,16-18H2,1-7H3/b15-14+/t19?,20-,21?/m0/s1
InChIKeyMZCZMFNSPUJWNA-LBCBKKCVSA-N
MW428.69 g/mol
LogP5.80
Rot. Bonds10

About tert-butyl-[(E)-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(oxan-2-yloxy)hept-6-enoxy]-dimethylsilane

tert-butyl-[(E)-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(oxan-2-yloxy)hept-6-enoxy]-dimethylsilane (PubChem CID 10836308) has the molecular formula C23H44O5Si and a molecular weight of 428.69 g/mol. Its IUPAC name is tert-butyl-[(E)-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(oxan-2-yloxy)hept-6-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(oxan-2-yloxy)hept-6-enoxy]-dimethylsilane
PubChem CID10836308
Molecular FormulaC23H44O5Si
Molecular Weight428.69 g/mol
Exact Mass428.30
IUPAC Nametert-butyl-[(E)-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(oxan-2-yloxy)hept-6-enoxy]-dimethylsilane
SMILESCC1(C)OC[C@H](/C=C/C(CCCCO[Si](C)(C)C(C)(C)C)OC2CCCCO2)O1
InChIInChI=1S/C23H44O5Si/c1-22(2,3)29(6,7)26-17-11-8-12-19(27-21-13-9-10-16-24-21)14-15-20-18-25-23(4,5)28-20/h14-15,19-21H,8-13,16-18H2,1-7H3/b15-14+/t19?,20-,21?/m0/s1
InChIKeyMZCZMFNSPUJWNA-LBCBKKCVSA-N
XLogP5.80
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.69
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]hex-5-en-3-yloxy-tert-butyl-dimethylsilane
CID 25111398
[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(5S,6S)-5-(methoxymethoxy)-2,2-dimethyl-3-tridecyl-5,6-dihydrooxasilin-6-yl]methoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 134846021
[(2S,3Z,5E)-2,4-dimethyl-6-[(2R,6R)-6-propan-2-yloxyoxan-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane
CID 134887217
[(2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,6-dihydro-2H-pyran-6-yl]oxy-tert-butyl-dimethylsilane
CID 134973116
Tert-butyl-dimethyl-[4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxysilane
CID 12692810
tert-butyl-[2-[(4S,5S)-5-[(Z,4R)-1-methoxy-4,5-dimethylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 58750137
tert-butyl-[2-[(4S,5S)-5-[(Z)-1-methoxy-5-methylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 58750406
tert-butyl-[[(2R,3S,6R)-6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 59027020
tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane
CID 59560724
tert-butyl-dimethyl-[(4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane
CID 66603327
tert-butyl-[[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 68707768
Tert-butyl-dimethyl-[1-(oxan-2-yloxy)pent-3-en-2-yloxy]silane
CID 68810381

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(oxan-2-yloxy)hept-6-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(oxan-2-yloxy)hept-6-enoxy]-dimethylsilane (CID 10836308) is tert-butyl-[(E)-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(oxan-2-yloxy)hept-6-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(oxan-2-yloxy)hept-6-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(oxan-2-yloxy)hept-6-enoxy]-dimethylsilane is CC1(C)OC[C@H](/C=C/C(CCCCO[Si](C)(C)C(C)(C)C)OC2CCCCO2)O1.
What is the InChIKey of tert-butyl-[(E)-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(oxan-2-yloxy)hept-6-enoxy]-dimethylsilane?
The InChIKey is MZCZMFNSPUJWNA-LBCBKKCVSA-N. The full InChI is InChI=1S/C23H44O5Si/c1-22(2,3)29(6,7)26-17-11-8-12-19(27-21-13-9-10-16-24-21)14-15-20-18-25-23(4,5)28-20/h14-15,19-21H,8-13,16-18H2,1-7H3/b15-14+/t19?,20-,21?/m0/s1.
What are the key properties of tert-butyl-[(E)-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(oxan-2-yloxy)hept-6-enoxy]-dimethylsilane?
tert-butyl-[(E)-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(oxan-2-yloxy)hept-6-enoxy]-dimethylsilane has a molecular weight of 428.69 g/mol, XLogP of 5.80, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(oxan-2-yloxy)hept-6-enoxy]-dimethylsilane is sourced from PubChem (CID 10836308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).