tert-butyl-dimethyl-[(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)methoxy]silane

C17H32O5Si — CID 10472700

IUPACtert-butyl-dimethyl-[(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)methoxy]silane
SMILESCOC1(OC)C=CC(OC)(OC)C(CO[Si](C)(C)C(C)(C)C)=C1
InChIInChI=1S/C17H32O5Si/c1-15(2,3)23(8,9)22-13-14-12-16(18-4,19-5)10-11-17(14,20-6)21-7/h10-12H,13H2,1-9H3
InChIKeyBBAQTIRFSUUMHY-UHFFFAOYSA-N
MW344.52 g/mol
LogP3.48
Rot. Bonds7

About tert-butyl-dimethyl-[(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)methoxy]silane

tert-butyl-dimethyl-[(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)methoxy]silane (PubChem CID 10472700) has the molecular formula C17H32O5Si and a molecular weight of 344.52 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)methoxy]silane
PubChem CID10472700
Molecular FormulaC17H32O5Si
Molecular Weight344.52 g/mol
Exact Mass344.20
IUPAC Nametert-butyl-dimethyl-[(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)methoxy]silane
SMILESCOC1(OC)C=CC(OC)(OC)C(CO[Si](C)(C)C(C)(C)C)=C1
InChIInChI=1S/C17H32O5Si/c1-15(2,3)23(8,9)22-13-14-12-16(18-4,19-5)10-11-17(14,20-6)21-7/h10-12H,13H2,1-9H3
InChIKeyBBAQTIRFSUUMHY-UHFFFAOYSA-N
XLogP3.48
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl] formate
CID 88528246
tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]thiophen-3-yl]methoxy]-dimethylsilane
CID 10690703
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
tert-butyl-[(4-tert-butylphenyl)methoxy]-dimethylsilane
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1-benzofuran-2-ylmethoxy-tert-butyl-dimethylsilane
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CID 53416358
tert-butyl-[[4-[4-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]but-2-enoxymethyl]phenyl]methoxy]-dimethylsilane
CID 68636763
tert-butyl-[(2,5-dimethylthiophen-3-yl)methoxy]-dimethylsilane
CID 175923025
3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one
CID 15649271
tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane
CID 10020633
[4-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane
CID 10757711
5-[[tert-butyl(dimethyl)silyl]oxymethyl]benzene-1,3-diamine
CID 71429023

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)methoxy]silane (CID 10472700) is tert-butyl-dimethyl-[(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)methoxy]silane is COC1(OC)C=CC(OC)(OC)C(CO[Si](C)(C)C(C)(C)C)=C1.
What is the InChIKey of tert-butyl-dimethyl-[(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)methoxy]silane?
The InChIKey is BBAQTIRFSUUMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O5Si/c1-15(2,3)23(8,9)22-13-14-12-16(18-4,19-5)10-11-17(14,20-6)21-7/h10-12H,13H2,1-9H3.
What are the key properties of tert-butyl-dimethyl-[(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)methoxy]silane?
tert-butyl-dimethyl-[(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)methoxy]silane has a molecular weight of 344.52 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3,3,6,6-tetramethoxycyclohexa-1,4-dien-1-yl)methoxy]silane is sourced from PubChem (CID 10472700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).