tert-butyl-(1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethoxy)-diphenylsilane

C29H44O7Si — CID 102228442

IUPACtert-butyl-(1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethoxy)-diphenylsilane
SMILESCC(C)(C)[Si](OCC1COCCOCCOCCOCCOCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H44O7Si/c1-29(2,3)37(27-10-6-4-7-11-27,28-12-8-5-9-13-28)36-25-26-24-34-21-20-32-17-16-30-14-15-31-18-19-33-22-23-35-26/h4-13,26H,14-25H2,1-3H3
InChIKeyKMARLZMLPRACDN-UHFFFAOYSA-N
MW532.75 g/mol
LogP3.04
Rot. Bonds5

About tert-butyl-(1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethoxy)-diphenylsilane

tert-butyl-(1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethoxy)-diphenylsilane (PubChem CID 102228442) has the molecular formula C29H44O7Si and a molecular weight of 532.75 g/mol. Its IUPAC name is tert-butyl-(1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethoxy)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethoxy)-diphenylsilane
PubChem CID102228442
Molecular FormulaC29H44O7Si
Molecular Weight532.75 g/mol
Exact Mass532.29
IUPAC Nametert-butyl-(1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethoxy)-diphenylsilane
SMILESCC(C)(C)[Si](OCC1COCCOCCOCCOCCOCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H44O7Si/c1-29(2,3)37(27-10-6-4-7-11-27,28-12-8-5-9-13-28)36-25-26-24-34-21-20-32-17-16-30-14-15-31-18-19-33-22-23-35-26/h4-13,26H,14-25H2,1-3H3
InChIKeyKMARLZMLPRACDN-UHFFFAOYSA-N
XLogP3.04
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.75
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol
CID 162409626
(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine
CID 142544481
tert-butyl-[[(3R)-morpholin-3-yl]methoxy]-diphenylsilane;hydrochloride
CID 131732786
tert-butyl-[[(3R,4R)-4-methoxyoxolan-3-yl]methoxy]-diphenylsilane
CID 67077747
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid
CID 155658327
(3S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 71234875
(3aS,4R,7S,7aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 101470803
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
(2R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid
CID 66663469
(2R,3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 90339346

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethoxy)-diphenylsilane?
The IUPAC name of tert-butyl-(1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethoxy)-diphenylsilane (CID 102228442) is tert-butyl-(1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethoxy)-diphenylsilane.
What is the SMILES notation for tert-butyl-(1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethoxy)-diphenylsilane?
The canonical SMILES for tert-butyl-(1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethoxy)-diphenylsilane is CC(C)(C)[Si](OCC1COCCOCCOCCOCCOCCO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-(1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethoxy)-diphenylsilane?
The InChIKey is KMARLZMLPRACDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44O7Si/c1-29(2,3)37(27-10-6-4-7-11-27,28-12-8-5-9-13-28)36-25-26-24-34-21-20-32-17-16-30-14-15-31-18-19-33-22-23-35-26/h4-13,26H,14-25H2,1-3H3.
What are the key properties of tert-butyl-(1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethoxy)-diphenylsilane?
tert-butyl-(1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethoxy)-diphenylsilane has a molecular weight of 532.75 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethoxy)-diphenylsilane is sourced from PubChem (CID 102228442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).