aluminum;carbanide;5-methylhex-5-enoxy-tri(propan-2-yl)silane

C18H39AlOSi — CID 11141987

IUPACaluminum;carbanide;5-methylhex-5-enoxy-tri(propan-2-yl)silane
SMILES[Al+3].[CH3-].[CH3-].[H]/[C-]=C(/C)CCCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H33OSi.2CH3.Al/c1-13(2)11-9-10-12-17-18(14(3)4,15(5)6)16(7)8;;;/h1,14-16H,9-12H2,2-8H3;2*1H3;/q3*-1;+3
InChIKeyDFVVHOFSBZUMHB-UHFFFAOYSA-N
MW326.58 g/mol
LogP6.25
Rot. Bonds9

About aluminum;carbanide;5-methylhex-5-enoxy-tri(propan-2-yl)silane

aluminum;carbanide;5-methylhex-5-enoxy-tri(propan-2-yl)silane (PubChem CID 11141987) has the molecular formula C18H39AlOSi and a molecular weight of 326.58 g/mol. Its IUPAC name is aluminum;carbanide;5-methylhex-5-enoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Namealuminum;carbanide;5-methylhex-5-enoxy-tri(propan-2-yl)silane
PubChem CID11141987
Molecular FormulaC18H39AlOSi
Molecular Weight326.58 g/mol
Exact Mass326.26
IUPAC Namealuminum;carbanide;5-methylhex-5-enoxy-tri(propan-2-yl)silane
SMILES[Al+3].[CH3-].[CH3-].[H]/[C-]=C(/C)CCCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H33OSi.2CH3.Al/c1-13(2)11-9-10-12-17-18(14(3)4,15(5)6)16(7)8;;;/h1,14-16H,9-12H2,2-8H3;2*1H3;/q3*-1;+3
InChIKeyDFVVHOFSBZUMHB-UHFFFAOYSA-N
XLogP6.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.58
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl(dimethyl)[(4-methyl-4-pentenyl)oxy]silane
CID 13818153
(1,1-Dimethylethyl)(6-hepten-1-yloxy)dimethylsilane
CID 15198362
[(E)-6-dimethylalumanyl-5-methylhex-5-enoxy]-tri(propan-2-yl)silane
CID 16688333
Butoxy-dibutyl-(3-methylidenenonyl)silane
CID 101564536
Triethyl((4-methylpent-4-en-1-yl)oxy)silane
CID 132274627
Tert-butyl-(8-deuteriododeca-6,7-dienoxy)-dimethylsilane
CID 134976577
Tert-butyl-(8-deuterionona-6,7-dienoxy)-dimethylsilane
CID 134977529
Tert-butyl-dimethyl-(9-methylundeca-6,7-dienoxy)silane
CID 134978252
tert-butyl-[(E)-6-iodo-5-methylhex-5-enoxy]-dimethylsilane
CID 135022885
Triethyl-(12-methoxy-3-methylidenedodecyl)silane
CID 135061990
Tert-butyl-[2-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,1-dimethylsilol-3-yl]ethoxy]-dimethylsilane
CID 135063233
Tert-butyl-dimethyl-(6-triethylsilylhept-6-enoxy)silane
CID 154721528

Frequently Asked Questions

What is the IUPAC name of aluminum;carbanide;5-methylhex-5-enoxy-tri(propan-2-yl)silane?
The IUPAC name of aluminum;carbanide;5-methylhex-5-enoxy-tri(propan-2-yl)silane (CID 11141987) is aluminum;carbanide;5-methylhex-5-enoxy-tri(propan-2-yl)silane.
What is the SMILES notation for aluminum;carbanide;5-methylhex-5-enoxy-tri(propan-2-yl)silane?
The canonical SMILES for aluminum;carbanide;5-methylhex-5-enoxy-tri(propan-2-yl)silane is [Al+3].[CH3-].[CH3-].[H]/[C-]=C(/C)CCCCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of aluminum;carbanide;5-methylhex-5-enoxy-tri(propan-2-yl)silane?
The InChIKey is DFVVHOFSBZUMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33OSi.2CH3.Al/c1-13(2)11-9-10-12-17-18(14(3)4,15(5)6)16(7)8;;;/h1,14-16H,9-12H2,2-8H3;2*1H3;/q3*-1;+3.
What are the key properties of aluminum;carbanide;5-methylhex-5-enoxy-tri(propan-2-yl)silane?
aluminum;carbanide;5-methylhex-5-enoxy-tri(propan-2-yl)silane has a molecular weight of 326.58 g/mol, XLogP of 6.25, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;carbanide;5-methylhex-5-enoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11141987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).