ditert-butyl-decoxy-(3-methylbut-2-enyl)silane

C23H48OSi — CID 101441078

IUPACditert-butyl-decoxy-(3-methylbut-2-enyl)silane
SMILESCCCCCCCCCCO[Si](CC=C(C)C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C23H48OSi/c1-10-11-12-13-14-15-16-17-19-24-25(22(4,5)6,23(7,8)9)20-18-21(2)3/h18H,10-17,19-20H2,1-9H3
InChIKeyJARITMKMIHIGOD-UHFFFAOYSA-N
MW368.72 g/mol
LogP8.66
Rot. Bonds12

About ditert-butyl-decoxy-(3-methylbut-2-enyl)silane

ditert-butyl-decoxy-(3-methylbut-2-enyl)silane (PubChem CID 101441078) has the molecular formula C23H48OSi and a molecular weight of 368.72 g/mol. Its IUPAC name is ditert-butyl-decoxy-(3-methylbut-2-enyl)silane.

Molecular Properties

Compound Nameditert-butyl-decoxy-(3-methylbut-2-enyl)silane
PubChem CID101441078
Molecular FormulaC23H48OSi
Molecular Weight368.72 g/mol
Exact Mass368.35
IUPAC Nameditert-butyl-decoxy-(3-methylbut-2-enyl)silane
SMILESCCCCCCCCCCO[Si](CC=C(C)C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C23H48OSi/c1-10-11-12-13-14-15-16-17-19-24-25(22(4,5)6,23(7,8)9)20-18-21(2)3/h18H,10-17,19-20H2,1-9H3
InChIKeyJARITMKMIHIGOD-UHFFFAOYSA-N
XLogP8.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.72
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl(dec-9-enyloxy)dimethylsilane
CID 10869380
Silane, (1,1-dimethylethyl)dimethyl(10-undecenyloxy)-
CID 10265922
1-Dimethyldodecylsilyloxy-3-methylbut-2-ene
CID 531344
Silane, dimethyl(3-methylbut-2-enyloxy)octyloxy-
CID 91739054
Silane, dimethyl(3-methylbut-2-enyloxy)nonyloxy-
CID 91740143
Silane, dimethyl(3-methylbut-2-enyloxy)undecyloxy-
CID 91741571
Silane, dimethyl(3-methylbut-2-enyloxy)dodecyloxy-
CID 91742099
Silane, dimethyl(3-methylbut-2-enyloxy)tridecyloxy-
CID 91742676
Silane, dimethyl(3-methylbut-2-enyloxy)tetradecyloxy-
CID 91743239
Silane, dimethyl(3-methylbut-2-enyloxy)pentadecyloxy-
CID 91743661
Silane, dimethyl(3-methylbut-2-enyloxy)hexadecyloxy-
CID 91744051
Silane, dimethyl(3-methylbut-2-enyloxy)heptadecyloxy-
CID 91744381

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-decoxy-(3-methylbut-2-enyl)silane?
The IUPAC name of ditert-butyl-decoxy-(3-methylbut-2-enyl)silane (CID 101441078) is ditert-butyl-decoxy-(3-methylbut-2-enyl)silane.
What is the SMILES notation for ditert-butyl-decoxy-(3-methylbut-2-enyl)silane?
The canonical SMILES for ditert-butyl-decoxy-(3-methylbut-2-enyl)silane is CCCCCCCCCCO[Si](CC=C(C)C)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-decoxy-(3-methylbut-2-enyl)silane?
The InChIKey is JARITMKMIHIGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48OSi/c1-10-11-12-13-14-15-16-17-19-24-25(22(4,5)6,23(7,8)9)20-18-21(2)3/h18H,10-17,19-20H2,1-9H3.
What are the key properties of ditert-butyl-decoxy-(3-methylbut-2-enyl)silane?
ditert-butyl-decoxy-(3-methylbut-2-enyl)silane has a molecular weight of 368.72 g/mol, XLogP of 8.66, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-decoxy-(3-methylbut-2-enyl)silane is sourced from PubChem (CID 101441078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).