tert-butyl-dimethyl-[4-(oxan-2-yloxy)-2-[7-(oxan-2-yloxy)heptyl]cyclopent-2-en-1-yl]oxysilane

C28H52O5Si — CID 13216827

IUPACtert-butyl-dimethyl-[4-(oxan-2-yloxy)-2-[7-(oxan-2-yloxy)heptyl]cyclopent-2-en-1-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)OC1CC(OC2CCCCO2)C=C1CCCCCCCOC1CCCCO1
InChIInChI=1S/C28H52O5Si/c1-28(2,3)34(4,5)33-25-22-24(32-27-17-11-14-20-31-27)21-23(25)15-9-7-6-8-12-18-29-26-16-10-13-19-30-26/h21,24-27H,6-20,22H2,1-5H3
InChIKeyFGSJLXWLQWBROT-UHFFFAOYSA-N
MW496.81 g/mol
LogP7.50
Rot. Bonds13

About tert-butyl-dimethyl-[4-(oxan-2-yloxy)-2-[7-(oxan-2-yloxy)heptyl]cyclopent-2-en-1-yl]oxysilane

tert-butyl-dimethyl-[4-(oxan-2-yloxy)-2-[7-(oxan-2-yloxy)heptyl]cyclopent-2-en-1-yl]oxysilane (PubChem CID 13216827) has the molecular formula C28H52O5Si and a molecular weight of 496.81 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-(oxan-2-yloxy)-2-[7-(oxan-2-yloxy)heptyl]cyclopent-2-en-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-(oxan-2-yloxy)-2-[7-(oxan-2-yloxy)heptyl]cyclopent-2-en-1-yl]oxysilane
PubChem CID13216827
Molecular FormulaC28H52O5Si
Molecular Weight496.81 g/mol
Exact Mass496.36
IUPAC Nametert-butyl-dimethyl-[4-(oxan-2-yloxy)-2-[7-(oxan-2-yloxy)heptyl]cyclopent-2-en-1-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)OC1CC(OC2CCCCO2)C=C1CCCCCCCOC1CCCCO1
InChIInChI=1S/C28H52O5Si/c1-28(2,3)34(4,5)33-25-22-24(32-27-17-11-14-20-31-27)21-23(25)15-9-7-6-8-12-18-29-26-16-10-13-19-30-26/h21,24-27H,6-20,22H2,1-5H3
InChIKeyFGSJLXWLQWBROT-UHFFFAOYSA-N
XLogP7.50
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.81
LogP ≤ 57.50
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

4-[tert-butyl(dimethyl)silyl]oxy-3-[7-(oxan-2-yloxy)heptyl]cyclopent-2-en-1-one
CID 13216821
tert-butyl-dimethyl-[4-[3-(oxan-2-yloxy)propyl]phenoxy]silane
CID 11473578
2-octacosoxyoxane
CID 11214102
2-[10-(2-butylcyclopropen-1-yl)decoxy]oxane
CID 10688292
4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine
CID 129363636
4-[6-[(2R)-oxan-2-yl]oxyhexyl]pyridine
CID 129363635
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-[11-(2-bromothiophen-3-yl)undecoxy]oxane
CID 15538798
trimethyl-[13-(oxan-2-yloxy)tridecyl]silane
CID 86200856
2-(10-thiophen-2-yldecoxy)oxane
CID 71403514
trimethyl-[4-(oxan-2-yloxy)butoxy]silane
CID 11218840
2-(4,4-dimethylpentoxy)oxane
CID 59628221

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[4-(oxan-2-yloxy)-2-[7-(oxan-2-yloxy)heptyl]cyclopent-2-en-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[4-(oxan-2-yloxy)-2-[7-(oxan-2-yloxy)heptyl]cyclopent-2-en-1-yl]oxysilane (CID 13216827) is tert-butyl-dimethyl-[4-(oxan-2-yloxy)-2-[7-(oxan-2-yloxy)heptyl]cyclopent-2-en-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[4-(oxan-2-yloxy)-2-[7-(oxan-2-yloxy)heptyl]cyclopent-2-en-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[4-(oxan-2-yloxy)-2-[7-(oxan-2-yloxy)heptyl]cyclopent-2-en-1-yl]oxysilane is CC(C)(C)[Si](C)(C)OC1CC(OC2CCCCO2)C=C1CCCCCCCOC1CCCCO1.
What is the InChIKey of tert-butyl-dimethyl-[4-(oxan-2-yloxy)-2-[7-(oxan-2-yloxy)heptyl]cyclopent-2-en-1-yl]oxysilane?
The InChIKey is FGSJLXWLQWBROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52O5Si/c1-28(2,3)34(4,5)33-25-22-24(32-27-17-11-14-20-31-27)21-23(25)15-9-7-6-8-12-18-29-26-16-10-13-19-30-26/h21,24-27H,6-20,22H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[4-(oxan-2-yloxy)-2-[7-(oxan-2-yloxy)heptyl]cyclopent-2-en-1-yl]oxysilane?
tert-butyl-dimethyl-[4-(oxan-2-yloxy)-2-[7-(oxan-2-yloxy)heptyl]cyclopent-2-en-1-yl]oxysilane has a molecular weight of 496.81 g/mol, XLogP of 7.50, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-(oxan-2-yloxy)-2-[7-(oxan-2-yloxy)heptyl]cyclopent-2-en-1-yl]oxysilane is sourced from PubChem (CID 13216827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).