tert-butyl-[2-[2-(2,6-dimethylhept-5-enyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane

C22H42O2Si — CID 68706705

IUPACtert-butyl-[2-[2-(2,6-dimethylhept-5-enyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane
SMILESCC(C)=CCCC(C)CC1CC=CC(CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C22H42O2Si/c1-18(2)11-9-12-19(3)17-21-14-10-13-20(24-21)15-16-23-25(7,8)22(4,5)6/h10-11,13,19-21H,9,12,14-17H2,1-8H3
InChIKeyGRBFESLWHPYDMO-UHFFFAOYSA-N
MW366.66 g/mol
LogP6.88
Rot. Bonds9

About tert-butyl-[2-[2-(2,6-dimethylhept-5-enyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane

tert-butyl-[2-[2-(2,6-dimethylhept-5-enyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane (PubChem CID 68706705) has the molecular formula C22H42O2Si and a molecular weight of 366.66 g/mol. Its IUPAC name is tert-butyl-[2-[2-(2,6-dimethylhept-5-enyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[2-(2,6-dimethylhept-5-enyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane
PubChem CID68706705
Molecular FormulaC22H42O2Si
Molecular Weight366.66 g/mol
Exact Mass366.30
IUPAC Nametert-butyl-[2-[2-(2,6-dimethylhept-5-enyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane
SMILESCC(C)=CCCC(C)CC1CC=CC(CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C22H42O2Si/c1-18(2)11-9-12-19(3)17-21-14-10-13-20(24-21)15-16-23-25(7,8)22(4,5)6/h10-11,13,19-21H,9,12,14-17H2,1-8H3
InChIKeyGRBFESLWHPYDMO-UHFFFAOYSA-N
XLogP6.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.66
LogP ≤ 56.88
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-[2-[2-(2,6-dimethylhept-5-enyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-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-[2-[2-(2,6-dimethylhept-5-enyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[2-(2,6-dimethylhept-5-enyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane (CID 68706705) is tert-butyl-[2-[2-(2,6-dimethylhept-5-enyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[2-(2,6-dimethylhept-5-enyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[2-(2,6-dimethylhept-5-enyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane is CC(C)=CCCC(C)CC1CC=CC(CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[2-[2-(2,6-dimethylhept-5-enyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane?
The InChIKey is GRBFESLWHPYDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O2Si/c1-18(2)11-9-12-19(3)17-21-14-10-13-20(24-21)15-16-23-25(7,8)22(4,5)6/h10-11,13,19-21H,9,12,14-17H2,1-8H3.
What are the key properties of tert-butyl-[2-[2-(2,6-dimethylhept-5-enyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane?
tert-butyl-[2-[2-(2,6-dimethylhept-5-enyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane has a molecular weight of 366.66 g/mol, XLogP of 6.88, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[2-(2,6-dimethylhept-5-enyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 68706705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).