but-3-enoxy-dodecoxy-dimethylsilane

C18H38O2Si — CID 91740301

IUPACbut-3-enoxy-dodecoxy-dimethylsilane
SMILESC=CCCO[Si](C)(C)OCCCCCCCCCCCC
InChIInChI=1S/C18H38O2Si/c1-5-7-9-10-11-12-13-14-15-16-18-20-21(3,4)19-17-8-6-2/h6H,2,5,7-18H2,1,3-4H3
InChIKeyMRZJQOHXUAVAAF-UHFFFAOYSA-N
MW314.59 g/mol
LogP6.22
Rot. Bonds16

About but-3-enoxy-dodecoxy-dimethylsilane

but-3-enoxy-dodecoxy-dimethylsilane (PubChem CID 91740301) has the molecular formula C18H38O2Si and a molecular weight of 314.59 g/mol. Its IUPAC name is but-3-enoxy-dodecoxy-dimethylsilane.

Molecular Properties

Compound Namebut-3-enoxy-dodecoxy-dimethylsilane
PubChem CID91740301
Molecular FormulaC18H38O2Si
Molecular Weight314.59 g/mol
Exact Mass314.26
IUPAC Namebut-3-enoxy-dodecoxy-dimethylsilane
SMILESC=CCCO[Si](C)(C)OCCCCCCCCCCCC
InChIInChI=1S/C18H38O2Si/c1-5-7-9-10-11-12-13-14-15-16-18-20-21(3,4)19-17-8-6-2/h6H,2,5,7-18H2,1,3-4H3
InChIKeyMRZJQOHXUAVAAF-UHFFFAOYSA-N
XLogP6.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.59
LogP ≤ 56.22
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

Tert-butyl(dec-9-enyloxy)dimethylsilane
CID 10869380
Trimethyl(undec-10-enoxy)silane
CID 554429
1-Triethylsilyloxyundec-10-ene
CID 568575
Octadec-9Z-enol trimethylsilyl ether
CID 5366884
9-Decen-1-ol, TMS derivative
CID 12578077
Trimethyl(9-octadecenyloxy)-silane
CID 554435
Silane, (1,1-dimethylethyl)dimethyl(10-undecenyloxy)-
CID 10265922
Linoleyl alcohol tms ether
CID 15635192
7,12-Bis(trimethylsiloxy)octadec-9-ene
CID 91341822
1-Fluoroheptadec-1-en-4-yloxy-dimethoxy-propylsilane
CID 175115935
11-(Dimethyldodecylsilyloxy)undec-1-ene
CID 531763
Silane, dimethyl(dec-4-enyloxy)heptyloxy-
CID 91694498

Frequently Asked Questions

What is the IUPAC name of but-3-enoxy-dodecoxy-dimethylsilane?
The IUPAC name of but-3-enoxy-dodecoxy-dimethylsilane (CID 91740301) is but-3-enoxy-dodecoxy-dimethylsilane.
What is the SMILES notation for but-3-enoxy-dodecoxy-dimethylsilane?
The canonical SMILES for but-3-enoxy-dodecoxy-dimethylsilane is C=CCCO[Si](C)(C)OCCCCCCCCCCCC.
What is the InChIKey of but-3-enoxy-dodecoxy-dimethylsilane?
The InChIKey is MRZJQOHXUAVAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2Si/c1-5-7-9-10-11-12-13-14-15-16-18-20-21(3,4)19-17-8-6-2/h6H,2,5,7-18H2,1,3-4H3.
What are the key properties of but-3-enoxy-dodecoxy-dimethylsilane?
but-3-enoxy-dodecoxy-dimethylsilane has a molecular weight of 314.59 g/mol, XLogP of 6.22, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enoxy-dodecoxy-dimethylsilane is sourced from PubChem (CID 91740301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).