tert-butyl-[(E)-6-[2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hex-4-enoxy]-diphenylsilane

C37H50O6Si — CID 102500168

IUPACtert-butyl-[(E)-6-[2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hex-4-enoxy]-diphenylsilane
SMILESCOCOC(/C=C/CC1OC(C)(C)OC1COCc1ccccc1)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C37H50O6Si/c1-36(2,3)44(32-20-12-8-13-21-32,33-22-14-9-15-23-33)41-26-25-31(40-29-38-6)19-16-24-34-35(43-37(4,5)42-34)28-39-27-30-17-10-7-11-18-30/h7-23,31,34-35H,24-29H2,1-6H3/b19-16+
InChIKeyKFUGTOKEALENBZ-KNTRCKAVSA-N
MW618.89 g/mol
LogP6.63
Rot. Bonds16

About tert-butyl-[(E)-6-[2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hex-4-enoxy]-diphenylsilane

tert-butyl-[(E)-6-[2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hex-4-enoxy]-diphenylsilane (PubChem CID 102500168) has the molecular formula C37H50O6Si and a molecular weight of 618.89 g/mol. Its IUPAC name is tert-butyl-[(E)-6-[2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hex-4-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-6-[2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hex-4-enoxy]-diphenylsilane
PubChem CID102500168
Molecular FormulaC37H50O6Si
Molecular Weight618.89 g/mol
Exact Mass618.34
IUPAC Nametert-butyl-[(E)-6-[2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hex-4-enoxy]-diphenylsilane
SMILESCOCOC(/C=C/CC1OC(C)(C)OC1COCc1ccccc1)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C37H50O6Si/c1-36(2,3)44(32-20-12-8-13-21-32,33-22-14-9-15-23-33)41-26-25-31(40-29-38-6)19-16-24-34-35(43-37(4,5)42-34)28-39-27-30-17-10-7-11-18-30/h7-23,31,34-35H,24-29H2,1-6H3/b19-16+
InChIKeyKFUGTOKEALENBZ-KNTRCKAVSA-N
XLogP6.63
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.89
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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

tert-butyl-[2-[(4S,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 11214535
(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxybutanal
CID 11983684
2-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]acetaldehyde
CID 11149732
(Z)-4-[(4S,5S)-5-[(Z)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enal
CID 122386118
(2R)-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]propan-2-ol
CID 71475919
(5S)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 58750450
2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-4-methoxy-5-(phenylmethoxymethyl)oxolan-2-yl]ethoxy-tert-butyl-diphenylsilane
CID 134844652
[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 18647944
(2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol
CID 11784542
tert-butyl-[2-[(2R,3R,4R,5R)-2-(iodomethyl)-4-methoxy-5-(phenylmethoxymethyl)oxolan-3-yl]ethoxy]-diphenylsilane
CID 134844367
[(4R,5R)-5-[(5S)-5,7-bis(phenylmethoxy)hept-2-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane
CID 134978275
(Z,5R)-1-[(4R,5S)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(4-methoxyphenyl)methoxy]hex-2-en-1-ol
CID 70843714

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-6-[2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hex-4-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(E)-6-[2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hex-4-enoxy]-diphenylsilane (CID 102500168) is tert-butyl-[(E)-6-[2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hex-4-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(E)-6-[2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hex-4-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(E)-6-[2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hex-4-enoxy]-diphenylsilane is COCOC(/C=C/CC1OC(C)(C)OC1COCc1ccccc1)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-6-[2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hex-4-enoxy]-diphenylsilane?
The InChIKey is KFUGTOKEALENBZ-KNTRCKAVSA-N. The full InChI is InChI=1S/C37H50O6Si/c1-36(2,3)44(32-20-12-8-13-21-32,33-22-14-9-15-23-33)41-26-25-31(40-29-38-6)19-16-24-34-35(43-37(4,5)42-34)28-39-27-30-17-10-7-11-18-30/h7-23,31,34-35H,24-29H2,1-6H3/b19-16+.
What are the key properties of tert-butyl-[(E)-6-[2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hex-4-enoxy]-diphenylsilane?
tert-butyl-[(E)-6-[2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hex-4-enoxy]-diphenylsilane has a molecular weight of 618.89 g/mol, XLogP of 6.63, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-6-[2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hex-4-enoxy]-diphenylsilane is sourced from PubChem (CID 102500168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).