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

C22H42O5Si — CID 11004227

IUPACtert-butyl-[(E)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(oxan-2-yloxy)hex-5-enoxy]-dimethylsilane
SMILESCC1(C)OCC(/C=C/C(CCCO[Si](C)(C)C(C)(C)C)OC2CCCCO2)O1
InChIInChI=1S/C22H42O5Si/c1-21(2,3)28(6,7)25-16-10-11-18(26-20-12-8-9-15-23-20)13-14-19-17-24-22(4,5)27-19/h13-14,18-20H,8-12,15-17H2,1-7H3/b14-13+
InChIKeyVHZXOSQOOVIDHT-BUHFOSPRSA-N
MW414.66 g/mol
LogP5.41
Rot. Bonds9

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

tert-butyl-[(E)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(oxan-2-yloxy)hex-5-enoxy]-dimethylsilane (PubChem CID 11004227) has the molecular formula C22H42O5Si and a molecular weight of 414.66 g/mol. Its IUPAC name is tert-butyl-[(E)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(oxan-2-yloxy)hex-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(oxan-2-yloxy)hex-5-enoxy]-dimethylsilane
PubChem CID11004227
Molecular FormulaC22H42O5Si
Molecular Weight414.66 g/mol
Exact Mass414.28
IUPAC Nametert-butyl-[(E)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(oxan-2-yloxy)hex-5-enoxy]-dimethylsilane
SMILESCC1(C)OCC(/C=C/C(CCCO[Si](C)(C)C(C)(C)C)OC2CCCCO2)O1
InChIInChI=1S/C22H42O5Si/c1-21(2,3)28(6,7)25-16-10-11-18(26-20-12-8-9-15-23-20)13-14-19-17-24-22(4,5)27-19/h13-14,18-20H,8-12,15-17H2,1-7H3/b14-13+
InChIKeyVHZXOSQOOVIDHT-BUHFOSPRSA-N
XLogP5.41
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.66
LogP ≤ 55.41
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'}

Analyze tert-butyl-[(E)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(oxan-2-yloxy)hex-5-enoxy]-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

tert-butyl-[[(8S)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-dimethylsilane
CID 11425711
[(3aR,4R,7R,7aR)-2,2-dimethyl-6-pent-4-enoxy-7-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy-tert-butyl-dimethylsilane
CID 134878490
(E)-3-[(4R,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethoxymethoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 134887319
tert-butyl-[(3E)-4-[5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane
CID 134973048
[(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
Ethyl (4R*,5R*)-(E)-4-(2'-tetrahydropyranyl)oxy-5-(tert-butyldimethylsilyl)oxy-2-hexenoate
CID 101587991
Tert-butyl-dimethyl-[4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxysilane
CID 12692810
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(oxan-2-yloxy)hex-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(oxan-2-yloxy)hex-5-enoxy]-dimethylsilane (CID 11004227) is tert-butyl-[(E)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(oxan-2-yloxy)hex-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(oxan-2-yloxy)hex-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(oxan-2-yloxy)hex-5-enoxy]-dimethylsilane is CC1(C)OCC(/C=C/C(CCCO[Si](C)(C)C(C)(C)C)OC2CCCCO2)O1.
What is the InChIKey of tert-butyl-[(E)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(oxan-2-yloxy)hex-5-enoxy]-dimethylsilane?
The InChIKey is VHZXOSQOOVIDHT-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H42O5Si/c1-21(2,3)28(6,7)25-16-10-11-18(26-20-12-8-9-15-23-20)13-14-19-17-24-22(4,5)27-19/h13-14,18-20H,8-12,15-17H2,1-7H3/b14-13+.
What are the key properties of tert-butyl-[(E)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(oxan-2-yloxy)hex-5-enoxy]-dimethylsilane?
tert-butyl-[(E)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(oxan-2-yloxy)hex-5-enoxy]-dimethylsilane has a molecular weight of 414.66 g/mol, XLogP of 5.41, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(oxan-2-yloxy)hex-5-enoxy]-dimethylsilane is sourced from PubChem (CID 11004227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).