but-3-enoxy-dimethyl-(4-methylpentoxy)silane

C12H26O2Si — CID 91698242

IUPACbut-3-enoxy-dimethyl-(4-methylpentoxy)silane
SMILESC=CCCO[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C12H26O2Si/c1-6-7-10-13-15(4,5)14-11-8-9-12(2)3/h6,12H,1,7-11H2,2-5H3
InChIKeyXMGVEUNIHBQKMD-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.73
Rot. Bonds9

About but-3-enoxy-dimethyl-(4-methylpentoxy)silane

but-3-enoxy-dimethyl-(4-methylpentoxy)silane (PubChem CID 91698242) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is but-3-enoxy-dimethyl-(4-methylpentoxy)silane.

Molecular Properties

Compound Namebut-3-enoxy-dimethyl-(4-methylpentoxy)silane
PubChem CID91698242
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Namebut-3-enoxy-dimethyl-(4-methylpentoxy)silane
SMILESC=CCCO[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C12H26O2Si/c1-6-7-10-13-15(4,5)14-11-8-9-12(2)3/h6,12H,1,7-11H2,2-5H3
InChIKeyXMGVEUNIHBQKMD-UHFFFAOYSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Silane, dimethyl(3-methylbut-3-enyloxy)isohexyloxy-
CID 91698239
Silane, dimethyl(but-2-enyloxy)isohexyloxy-
CID 91698240
Silane, dimethyl(pent-4-en-2-yloxy)isohexyloxy-
CID 91698385
Silane, dimethyl(but-3-enyloxy)pentyloxy-
CID 91726714
Silane, dimethyl(but-3-enyloxy)hexyloxy-
CID 91730309
Silane, dimethyl(dimethyl(but-3-enyloxy)silyloxy)isohexyloxy-
CID 91736917
tert-butyl-[(2R)-2-ethenylpent-4-enoxy]-dimethylsilane
CID 134863722
4-Methyl-1-(dimethyl(prop-2-enyl)silyloxy)pentane
CID 554758
tert-butyl-[(2R,4S)-2,4-dimethylhex-5-enoxy]-dimethylsilane
CID 102323146
Trimethyl(6-methylhept-1-en-4-yloxy)silane
CID 14911960
Trimethyl(6-methylocta-1,7-dien-4-yloxy)silane
CID 57145555
Trimethyl(6-methylnona-1,7,8-trien-4-yloxy)silane
CID 57158549

Frequently Asked Questions

What is the IUPAC name of but-3-enoxy-dimethyl-(4-methylpentoxy)silane?
The IUPAC name of but-3-enoxy-dimethyl-(4-methylpentoxy)silane (CID 91698242) is but-3-enoxy-dimethyl-(4-methylpentoxy)silane.
What is the SMILES notation for but-3-enoxy-dimethyl-(4-methylpentoxy)silane?
The canonical SMILES for but-3-enoxy-dimethyl-(4-methylpentoxy)silane is C=CCCO[Si](C)(C)OCCCC(C)C.
What is the InChIKey of but-3-enoxy-dimethyl-(4-methylpentoxy)silane?
The InChIKey is XMGVEUNIHBQKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-6-7-10-13-15(4,5)14-11-8-9-12(2)3/h6,12H,1,7-11H2,2-5H3.
What are the key properties of but-3-enoxy-dimethyl-(4-methylpentoxy)silane?
but-3-enoxy-dimethyl-(4-methylpentoxy)silane has a molecular weight of 230.42 g/mol, XLogP of 3.73, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enoxy-dimethyl-(4-methylpentoxy)silane is sourced from PubChem (CID 91698242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).