(3-butyl-2,2-ditert-butyl-5-propyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane

C27H56O2Si2 — CID 101411882

IUPAC(3-butyl-2,2-ditert-butyl-5-propyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane
SMILESCCCCC1=C(O[Si](C(C)C)(C(C)C)C(C)C)C(CCC)O[Si]1(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C27H56O2Si2/c1-15-17-19-24-25(29-30(20(3)4,21(5)6)22(7)8)23(18-16-2)28-31(24,26(9,10)11)27(12,13)14/h20-23H,15-19H2,1-14H3
InChIKeyPDFVCIKEXDDGJI-UHFFFAOYSA-N
MW468.92 g/mol
LogP9.91
Rot. Bonds10

About (3-butyl-2,2-ditert-butyl-5-propyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane

(3-butyl-2,2-ditert-butyl-5-propyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane (PubChem CID 101411882) has the molecular formula C27H56O2Si2 and a molecular weight of 468.92 g/mol. Its IUPAC name is (3-butyl-2,2-ditert-butyl-5-propyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(3-butyl-2,2-ditert-butyl-5-propyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane
PubChem CID101411882
Molecular FormulaC27H56O2Si2
Molecular Weight468.92 g/mol
Exact Mass468.38
IUPAC Name(3-butyl-2,2-ditert-butyl-5-propyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane
SMILESCCCCC1=C(O[Si](C(C)C)(C(C)C)C(C)C)C(CCC)O[Si]1(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C27H56O2Si2/c1-15-17-19-24-25(29-30(20(3)4,21(5)6)22(7)8)23(18-16-2)28-31(24,26(9,10)11)27(12,13)14/h20-23H,15-19H2,1-14H3
InChIKeyPDFVCIKEXDDGJI-UHFFFAOYSA-N
XLogP9.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.92
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(1S)-1-propyl-2-trimethylsilyloxybut-2-enoxy]silane
CID 140080816
tert-butyl-dimethyl-[(1R)-1-propyl-2-trimethylsilyloxybut-2-enoxy]silane
CID 140080829
Tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]oxy-dimethylsilane
CID 11198673
tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-3-en-3-yl]oxy-dimethylsilane
CID 11244870
tert-butyl-[(3-butyl-2,2-ditert-butyl-5-propyl-5H-oxasilol-4-yl)oxy]-dimethylsilane
CID 101411883
(3-butyl-2,2-ditert-butyl-5-prop-2-enyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane
CID 101411889
Tert-butyl-dimethyl-(2-methyl-3-trimethylsilyloxycyclopent-2-en-1-yl)oxysilane
CID 102435319

Frequently Asked Questions

What is the IUPAC name of (3-butyl-2,2-ditert-butyl-5-propyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane?
The IUPAC name of (3-butyl-2,2-ditert-butyl-5-propyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane (CID 101411882) is (3-butyl-2,2-ditert-butyl-5-propyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane.
What is the SMILES notation for (3-butyl-2,2-ditert-butyl-5-propyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane?
The canonical SMILES for (3-butyl-2,2-ditert-butyl-5-propyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane is CCCCC1=C(O[Si](C(C)C)(C(C)C)C(C)C)C(CCC)O[Si]1(C(C)(C)C)C(C)(C)C.
What is the InChIKey of (3-butyl-2,2-ditert-butyl-5-propyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane?
The InChIKey is PDFVCIKEXDDGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56O2Si2/c1-15-17-19-24-25(29-30(20(3)4,21(5)6)22(7)8)23(18-16-2)28-31(24,26(9,10)11)27(12,13)14/h20-23H,15-19H2,1-14H3.
What are the key properties of (3-butyl-2,2-ditert-butyl-5-propyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane?
(3-butyl-2,2-ditert-butyl-5-propyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane has a molecular weight of 468.92 g/mol, XLogP of 9.91, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butyl-2,2-ditert-butyl-5-propyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 101411882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).