tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,5-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane

C23H40O3Si — CID 139968516

IUPACtert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,5-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane
SMILESCOCOCC/C(C)=C1/CCC2=C(CO[Si](C)(C)C(C)(C)C)CC=CC21C
InChIInChI=1S/C23H40O3Si/c1-18(13-15-25-17-24-6)20-11-12-21-19(10-9-14-23(20,21)5)16-26-27(7,8)22(2,3)4/h9,14H,10-13,15-17H2,1-8H3/b20-18-
InChIKeyQPCHJBBBYQPAHK-ZZEZOPTASA-N
MW392.66 g/mol
LogP6.39
Rot. Bonds8

About tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,5-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane

tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,5-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane (PubChem CID 139968516) has the molecular formula C23H40O3Si and a molecular weight of 392.66 g/mol. Its IUPAC name is tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,5-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,5-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane
PubChem CID139968516
Molecular FormulaC23H40O3Si
Molecular Weight392.66 g/mol
Exact Mass392.27
IUPAC Nametert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,5-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane
SMILESCOCOCC/C(C)=C1/CCC2=C(CO[Si](C)(C)C(C)(C)C)CC=CC21C
InChIInChI=1S/C23H40O3Si/c1-18(13-15-25-17-24-6)20-11-12-21-19(10-9-14-23(20,21)5)16-26-27(7,8)22(2,3)4/h9,14H,10-13,15-17H2,1-8H3/b20-18-
InChIKeyQPCHJBBBYQPAHK-ZZEZOPTASA-N
XLogP6.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.66
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane
CID 139968512
tert-butyl-[[(1Z)-1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylidene]-7a-methyl-3,5-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane
CID 139968514
tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-6,7-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane
CID 139968525
Tert-butyl-[4-(methoxymethoxymethyl)-2-methyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl]oxy-dimethylsilane
CID 11759561

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,5-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,5-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane (CID 139968516) is tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,5-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,5-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,5-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane is COCOCC/C(C)=C1/CCC2=C(CO[Si](C)(C)C(C)(C)C)CC=CC21C.
What is the InChIKey of tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,5-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane?
The InChIKey is QPCHJBBBYQPAHK-ZZEZOPTASA-N. The full InChI is InChI=1S/C23H40O3Si/c1-18(13-15-25-17-24-6)20-11-12-21-19(10-9-14-23(20,21)5)16-26-27(7,8)22(2,3)4/h9,14H,10-13,15-17H2,1-8H3/b20-18-.
What are the key properties of tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,5-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane?
tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,5-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane has a molecular weight of 392.66 g/mol, XLogP of 6.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1Z)-1-[4-(methoxymethoxy)butan-2-ylidene]-7a-methyl-3,5-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 139968516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).