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

C27H54O2Si2 — CID 101411889

IUPAC(3-butyl-2,2-ditert-butyl-5-prop-2-enyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane
SMILESC=CCC1O[Si](C(C)(C)C)(C(C)(C)C)C(CCCC)=C1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H54O2Si2/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/h16,20-23H,2,15,17-19H2,1,3-14H3
InChIKeyJBBVVUCNHWHMSJ-UHFFFAOYSA-N
MW466.90 g/mol
LogP9.68
Rot. Bonds10

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

(3-butyl-2,2-ditert-butyl-5-prop-2-enyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane (PubChem CID 101411889) has the molecular formula C27H54O2Si2 and a molecular weight of 466.90 g/mol. Its IUPAC name is (3-butyl-2,2-ditert-butyl-5-prop-2-enyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(3-butyl-2,2-ditert-butyl-5-prop-2-enyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane
PubChem CID101411889
Molecular FormulaC27H54O2Si2
Molecular Weight466.90 g/mol
Exact Mass466.37
IUPAC Name(3-butyl-2,2-ditert-butyl-5-prop-2-enyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane
SMILESC=CCC1O[Si](C(C)(C)C)(C(C)(C)C)C(CCCC)=C1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H54O2Si2/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/h16,20-23H,2,15,17-19H2,1,3-14H3
InChIKeyJBBVVUCNHWHMSJ-UHFFFAOYSA-N
XLogP9.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.90
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

Tert-butyl-cyclopent-2-en-1-yloxy-dimethylsilane
CID 9815574
tert-butyl-[(1S)-cyclopent-2-en-1-yl]oxy-dimethylsilane
CID 12445093
tert-butyl-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 15110385
tert-butyl-[(2E,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,6-dienoxy]-dimethylsilane
CID 5387042
tert-butyl-[(1R,4S)-4-ethenyl-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane
CID 11358411
tert-butyl-[(3S,4S,5E,8R)-3,6-dimethyl-8-triethylsilyloxyundeca-1,5-dien-4-yl]oxy-dimethylsilane
CID 11430610
tert-butyl-dimethyl-[(Z,2S)-1-triethylsilyloxydec-4-en-2-yl]oxysilane
CID 11475089
[(1S,2R,5R)-2-but-3-enoxy-5-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 101193984
(3-butyl-2,2-ditert-butyl-5-propyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane
CID 101411882
triethyl-[(2E)-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]silane
CID 101567387
(E,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-en-1-ol
CID 101778807
[(5S,7E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,7-dien-1-ynyl]-trimethylsilane
CID 134865464

Frequently Asked Questions

What is the IUPAC name of (3-butyl-2,2-ditert-butyl-5-prop-2-enyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane?
The IUPAC name of (3-butyl-2,2-ditert-butyl-5-prop-2-enyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane (CID 101411889) is (3-butyl-2,2-ditert-butyl-5-prop-2-enyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane.
What is the SMILES notation for (3-butyl-2,2-ditert-butyl-5-prop-2-enyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane?
The canonical SMILES for (3-butyl-2,2-ditert-butyl-5-prop-2-enyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane is C=CCC1O[Si](C(C)(C)C)(C(C)(C)C)C(CCCC)=C1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3-butyl-2,2-ditert-butyl-5-prop-2-enyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane?
The InChIKey is JBBVVUCNHWHMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54O2Si2/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/h16,20-23H,2,15,17-19H2,1,3-14H3.
What are the key properties of (3-butyl-2,2-ditert-butyl-5-prop-2-enyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane?
(3-butyl-2,2-ditert-butyl-5-prop-2-enyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane has a molecular weight of 466.90 g/mol, XLogP of 9.68, 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-prop-2-enyl-5H-oxasilol-4-yl)oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 101411889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).