tert-butyl-[[5-(methoxymethoxy)-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methoxy]-dimethylsilane

C24H40O3Si2 — CID 11070080

IUPACtert-butyl-[[5-(methoxymethoxy)-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methoxy]-dimethylsilane
SMILESCOCOC1(C#C/C=C\C#C[Si](C)(C)C)CCC=C(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C24H40O3Si2/c1-23(2,3)29(8,9)27-20-22-15-14-17-24(19-22,26-21-25-4)16-12-10-11-13-18-28(5,6)7/h10-11,15H,14,17,19-21H2,1-9H3/b11-10-
InChIKeyINAGCDGIPWJPAW-KHPPLWFESA-N
MW432.75 g/mol
LogP5.92
Rot. Bonds6

About tert-butyl-[[5-(methoxymethoxy)-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methoxy]-dimethylsilane

tert-butyl-[[5-(methoxymethoxy)-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methoxy]-dimethylsilane (PubChem CID 11070080) has the molecular formula C24H40O3Si2 and a molecular weight of 432.75 g/mol. Its IUPAC name is tert-butyl-[[5-(methoxymethoxy)-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[5-(methoxymethoxy)-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methoxy]-dimethylsilane
PubChem CID11070080
Molecular FormulaC24H40O3Si2
Molecular Weight432.75 g/mol
Exact Mass432.25
IUPAC Nametert-butyl-[[5-(methoxymethoxy)-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methoxy]-dimethylsilane
SMILESCOCOC1(C#C/C=C\C#C[Si](C)(C)C)CCC=C(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C24H40O3Si2/c1-23(2,3)29(8,9)27-20-22-15-14-17-24(19-22,26-21-25-4)16-12-10-11-13-18-28(5,6)7/h10-11,15H,14,17,19-21H2,1-9H3/b11-10-
InChIKeyINAGCDGIPWJPAW-KHPPLWFESA-N
XLogP5.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.75
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[[5-(methoxymethoxy)-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methoxy]-dimethylsilane 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

[(2R,5Z,9S)-9-(methoxymethoxy)-2-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy-trimethylsilane
CID 11120669
tert-butyl-[[5-[(Z)-6-iodohex-3-en-1,5-diynyl]-5-(methoxymethoxy)cyclohexen-1-yl]methoxy]-dimethylsilane
CID 11049202
[(E,3R,4S,10R)-3,10-dimethyl-9-methylidene-12-(oxan-2-yloxy)-1-trimethylsilyldodec-5-en-1-yn-4-yl]oxy-tri(propan-2-yl)silane
CID 25111729

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[5-(methoxymethoxy)-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[5-(methoxymethoxy)-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methoxy]-dimethylsilane (CID 11070080) is tert-butyl-[[5-(methoxymethoxy)-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[5-(methoxymethoxy)-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[5-(methoxymethoxy)-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methoxy]-dimethylsilane is COCOC1(C#C/C=C\C#C[Si](C)(C)C)CCC=C(CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[[5-(methoxymethoxy)-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methoxy]-dimethylsilane?
The InChIKey is INAGCDGIPWJPAW-KHPPLWFESA-N. The full InChI is InChI=1S/C24H40O3Si2/c1-23(2,3)29(8,9)27-20-22-15-14-17-24(19-22,26-21-25-4)16-12-10-11-13-18-28(5,6)7/h10-11,15H,14,17,19-21H2,1-9H3/b11-10-.
What are the key properties of tert-butyl-[[5-(methoxymethoxy)-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methoxy]-dimethylsilane?
tert-butyl-[[5-(methoxymethoxy)-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methoxy]-dimethylsilane has a molecular weight of 432.75 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[5-(methoxymethoxy)-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 11070080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).