tert-butyl-[(E,3R)-1-[(4S)-2,4-dimethyloxolan-2-yl]-2-methylpent-1-en-3-yl]oxy-dimethylsilane

C18H36O2Si — CID 10638890

IUPACtert-butyl-[(E,3R)-1-[(4S)-2,4-dimethyloxolan-2-yl]-2-methylpent-1-en-3-yl]oxy-dimethylsilane
SMILESCC[C@@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/C1(C)C[C@H](C)CO1
InChIInChI=1S/C18H36O2Si/c1-10-16(20-21(8,9)17(4,5)6)15(3)12-18(7)11-14(2)13-19-18/h12,14,16H,10-11,13H2,1-9H3/b15-12+/t14-,16+,18?/m0/s1
InChIKeyVONVWMDPRFMPMM-VLRVPBEKSA-N
MW312.57 g/mol
LogP5.55
Rot. Bonds5

About tert-butyl-[(E,3R)-1-[(4S)-2,4-dimethyloxolan-2-yl]-2-methylpent-1-en-3-yl]oxy-dimethylsilane

tert-butyl-[(E,3R)-1-[(4S)-2,4-dimethyloxolan-2-yl]-2-methylpent-1-en-3-yl]oxy-dimethylsilane (PubChem CID 10638890) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is tert-butyl-[(E,3R)-1-[(4S)-2,4-dimethyloxolan-2-yl]-2-methylpent-1-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,3R)-1-[(4S)-2,4-dimethyloxolan-2-yl]-2-methylpent-1-en-3-yl]oxy-dimethylsilane
PubChem CID10638890
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Nametert-butyl-[(E,3R)-1-[(4S)-2,4-dimethyloxolan-2-yl]-2-methylpent-1-en-3-yl]oxy-dimethylsilane
SMILESCC[C@@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/C1(C)C[C@H](C)CO1
InChIInChI=1S/C18H36O2Si/c1-10-16(20-21(8,9)17(4,5)6)15(3)12-18(7)11-14(2)13-19-18/h12,14,16H,10-11,13H2,1-9H3/b15-12+/t14-,16+,18?/m0/s1
InChIKeyVONVWMDPRFMPMM-VLRVPBEKSA-N
XLogP5.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.55
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'}

Analyze tert-butyl-[(E,3R)-1-[(4S)-2,4-dimethyloxolan-2-yl]-2-methylpent-1-en-3-yl]oxy-dimethylsilane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,3R)-1-[(4S)-2,4-dimethyloxolan-2-yl]-2-methylpent-1-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,3R)-1-[(4S)-2,4-dimethyloxolan-2-yl]-2-methylpent-1-en-3-yl]oxy-dimethylsilane (CID 10638890) is tert-butyl-[(E,3R)-1-[(4S)-2,4-dimethyloxolan-2-yl]-2-methylpent-1-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,3R)-1-[(4S)-2,4-dimethyloxolan-2-yl]-2-methylpent-1-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,3R)-1-[(4S)-2,4-dimethyloxolan-2-yl]-2-methylpent-1-en-3-yl]oxy-dimethylsilane is CC[C@@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/C1(C)C[C@H](C)CO1.
What is the InChIKey of tert-butyl-[(E,3R)-1-[(4S)-2,4-dimethyloxolan-2-yl]-2-methylpent-1-en-3-yl]oxy-dimethylsilane?
The InChIKey is VONVWMDPRFMPMM-VLRVPBEKSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-10-16(20-21(8,9)17(4,5)6)15(3)12-18(7)11-14(2)13-19-18/h12,14,16H,10-11,13H2,1-9H3/b15-12+/t14-,16+,18?/m0/s1.
What are the key properties of tert-butyl-[(E,3R)-1-[(4S)-2,4-dimethyloxolan-2-yl]-2-methylpent-1-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(E,3R)-1-[(4S)-2,4-dimethyloxolan-2-yl]-2-methylpent-1-en-3-yl]oxy-dimethylsilane has a molecular weight of 312.57 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,3R)-1-[(4S)-2,4-dimethyloxolan-2-yl]-2-methylpent-1-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 10638890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).