(3E)-4-butyl-2,2-ditert-butyl-5,5-diethyl-3-pentylideneoxasilolane

C24H48OSi — CID 101474220

IUPAC(3E)-4-butyl-2,2-ditert-butyl-5,5-diethyl-3-pentylideneoxasilolane
SMILESCCCC/C=C1\C(CCCC)C(CC)(CC)O[Si]1(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C24H48OSi/c1-11-15-17-19-21-20(18-16-12-2)24(13-3,14-4)25-26(21,22(5,6)7)23(8,9)10/h19-20H,11-18H2,1-10H3/b21-19+
InChIKeyVCHJGNOYKRMELE-XUTLUUPISA-N
MW380.73 g/mol
LogP8.58
Rot. Bonds8

About (3E)-4-butyl-2,2-ditert-butyl-5,5-diethyl-3-pentylideneoxasilolane

(3E)-4-butyl-2,2-ditert-butyl-5,5-diethyl-3-pentylideneoxasilolane (PubChem CID 101474220) has the molecular formula C24H48OSi and a molecular weight of 380.73 g/mol. Its IUPAC name is (3E)-4-butyl-2,2-ditert-butyl-5,5-diethyl-3-pentylideneoxasilolane.

Molecular Properties

Compound Name(3E)-4-butyl-2,2-ditert-butyl-5,5-diethyl-3-pentylideneoxasilolane
PubChem CID101474220
Molecular FormulaC24H48OSi
Molecular Weight380.73 g/mol
Exact Mass380.35
IUPAC Name(3E)-4-butyl-2,2-ditert-butyl-5,5-diethyl-3-pentylideneoxasilolane
SMILESCCCC/C=C1\C(CCCC)C(CC)(CC)O[Si]1(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C24H48OSi/c1-11-15-17-19-21-20(18-16-12-2)24(13-3,14-4)25-26(21,22(5,6)7)23(8,9)10/h19-20H,11-18H2,1-10H3/b21-19+
InChIKeyVCHJGNOYKRMELE-XUTLUUPISA-N
XLogP8.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.73
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E)-4-butyl-2,2-ditert-butyl-5,5-diethyl-3-pentylideneoxasilolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-[4-[(1R)-cyclohex-2-en-1-yl]-2-methylbutan-2-yl]oxy-dimethylsilane
CID 162400600
alpha-Bisabolol, TMS derivative
CID 14486055
(3E,4S,5S)-2,2-ditert-butyl-4-cyclohexyl-3-ethylidene-5-propan-2-yloxasilolane
CID 101474218
Tert-butyl-dimethyl-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxysilane
CID 11448578
(4R)-2,2-ditert-butyl-4-propan-2-yl-1-oxa-2-silaspiro[4.5]dec-6-ene
CID 11823011
Tert-butyl-dimethyl-[5-methyl-4-(6-methylhept-5-en-2-yl)cyclopenten-1-yl]oxysilane
CID 11834257
Tert-butyl-(4-cyclohexylcyclopenten-1-yl)oxy-dimethylsilane
CID 12013671
[(5-Ethenyl-6-propyldec-7-en-5-yl)oxy](trimethyl)silane
CID 71409417
[(5-Ethenyl-4-propylnon-2-en-5-yl)oxy](trimethyl)silane
CID 71409418
Triethyl-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxysilane
CID 85813479
tert-butyl-dimethyl-[2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-yloxy]silane
CID 100987046
(7R)-7-cyclohexyl-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-3,6-dihydrooxasilepine
CID 101169026

Frequently Asked Questions

What is the IUPAC name of (3E)-4-butyl-2,2-ditert-butyl-5,5-diethyl-3-pentylideneoxasilolane?
The IUPAC name of (3E)-4-butyl-2,2-ditert-butyl-5,5-diethyl-3-pentylideneoxasilolane (CID 101474220) is (3E)-4-butyl-2,2-ditert-butyl-5,5-diethyl-3-pentylideneoxasilolane.
What is the SMILES notation for (3E)-4-butyl-2,2-ditert-butyl-5,5-diethyl-3-pentylideneoxasilolane?
The canonical SMILES for (3E)-4-butyl-2,2-ditert-butyl-5,5-diethyl-3-pentylideneoxasilolane is CCCC/C=C1\C(CCCC)C(CC)(CC)O[Si]1(C(C)(C)C)C(C)(C)C.
What is the InChIKey of (3E)-4-butyl-2,2-ditert-butyl-5,5-diethyl-3-pentylideneoxasilolane?
The InChIKey is VCHJGNOYKRMELE-XUTLUUPISA-N. The full InChI is InChI=1S/C24H48OSi/c1-11-15-17-19-21-20(18-16-12-2)24(13-3,14-4)25-26(21,22(5,6)7)23(8,9)10/h19-20H,11-18H2,1-10H3/b21-19+.
What are the key properties of (3E)-4-butyl-2,2-ditert-butyl-5,5-diethyl-3-pentylideneoxasilolane?
(3E)-4-butyl-2,2-ditert-butyl-5,5-diethyl-3-pentylideneoxasilolane has a molecular weight of 380.73 g/mol, XLogP of 8.58, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-butyl-2,2-ditert-butyl-5,5-diethyl-3-pentylideneoxasilolane is sourced from PubChem (CID 101474220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).