di(butan-2-yloxy)-ethenyl-(3,4,4-tributoxyhex-5-en-3-yloxy)silane

C28H56O6Si — CID 151419864

IUPACdi(butan-2-yloxy)-ethenyl-(3,4,4-tributoxyhex-5-en-3-yloxy)silane
SMILESC=CC(OCCCC)(OCCCC)C(CC)(OCCCC)O[Si](C=C)(OC(C)CC)OC(C)CC
InChIInChI=1S/C28H56O6Si/c1-11-19-22-29-27(16-6,30-23-20-12-2)28(17-7,31-24-21-13-3)34-35(18-8,32-25(9)14-4)33-26(10)15-5/h16,18,25-26H,6,8,11-15,17,19-24H2,1-5,7,9-10H3
InChIKeyPAHTUVYJFZEZAL-UHFFFAOYSA-N
MW516.84 g/mol
LogP7.74
Rot. Bonds24

About di(butan-2-yloxy)-ethenyl-(3,4,4-tributoxyhex-5-en-3-yloxy)silane

di(butan-2-yloxy)-ethenyl-(3,4,4-tributoxyhex-5-en-3-yloxy)silane (PubChem CID 151419864) has the molecular formula C28H56O6Si and a molecular weight of 516.84 g/mol. Its IUPAC name is di(butan-2-yloxy)-ethenyl-(3,4,4-tributoxyhex-5-en-3-yloxy)silane.

Molecular Properties

Compound Namedi(butan-2-yloxy)-ethenyl-(3,4,4-tributoxyhex-5-en-3-yloxy)silane
PubChem CID151419864
Molecular FormulaC28H56O6Si
Molecular Weight516.84 g/mol
Exact Mass516.38
IUPAC Namedi(butan-2-yloxy)-ethenyl-(3,4,4-tributoxyhex-5-en-3-yloxy)silane
SMILESC=CC(OCCCC)(OCCCC)C(CC)(OCCCC)O[Si](C=C)(OC(C)CC)OC(C)CC
InChIInChI=1S/C28H56O6Si/c1-11-19-22-29-27(16-6,30-23-20-12-2)28(17-7,31-24-21-13-3)34-35(18-8,32-25(9)14-4)33-26(10)15-5/h16,18,25-26H,6,8,11-15,17,19-24H2,1-5,7,9-10H3
InChIKeyPAHTUVYJFZEZAL-UHFFFAOYSA-N
XLogP7.74
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.84
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of di(butan-2-yloxy)-ethenyl-(3,4,4-tributoxyhex-5-en-3-yloxy)silane?
The IUPAC name of di(butan-2-yloxy)-ethenyl-(3,4,4-tributoxyhex-5-en-3-yloxy)silane (CID 151419864) is di(butan-2-yloxy)-ethenyl-(3,4,4-tributoxyhex-5-en-3-yloxy)silane.
What is the SMILES notation for di(butan-2-yloxy)-ethenyl-(3,4,4-tributoxyhex-5-en-3-yloxy)silane?
The canonical SMILES for di(butan-2-yloxy)-ethenyl-(3,4,4-tributoxyhex-5-en-3-yloxy)silane is C=CC(OCCCC)(OCCCC)C(CC)(OCCCC)O[Si](C=C)(OC(C)CC)OC(C)CC.
What is the InChIKey of di(butan-2-yloxy)-ethenyl-(3,4,4-tributoxyhex-5-en-3-yloxy)silane?
The InChIKey is PAHTUVYJFZEZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56O6Si/c1-11-19-22-29-27(16-6,30-23-20-12-2)28(17-7,31-24-21-13-3)34-35(18-8,32-25(9)14-4)33-26(10)15-5/h16,18,25-26H,6,8,11-15,17,19-24H2,1-5,7,9-10H3.
What are the key properties of di(butan-2-yloxy)-ethenyl-(3,4,4-tributoxyhex-5-en-3-yloxy)silane?
di(butan-2-yloxy)-ethenyl-(3,4,4-tributoxyhex-5-en-3-yloxy)silane has a molecular weight of 516.84 g/mol, XLogP of 7.74, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for di(butan-2-yloxy)-ethenyl-(3,4,4-tributoxyhex-5-en-3-yloxy)silane is sourced from PubChem (CID 151419864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).