[(E)-3-[bis(3-methylbutan-2-yl)boranyl]prop-2-enoxy]-trimethylsilane

C16H35BOSi — CID 10967976

IUPAC[(E)-3-[bis(3-methylbutan-2-yl)boranyl]prop-2-enoxy]-trimethylsilane
SMILESCC(C)C(C)B(/C=C/CO[Si](C)(C)C)C(C)C(C)C
InChIInChI=1S/C16H35BOSi/c1-13(2)15(5)17(16(6)14(3)4)11-10-12-18-19(7,8)9/h10-11,13-16H,12H2,1-9H3/b11-10+
InChIKeyOFDWOXDNKOYFPM-ZHACJKMWSA-N
MW282.35 g/mol
LogP5.52
Rot. Bonds8

About [(E)-3-[bis(3-methylbutan-2-yl)boranyl]prop-2-enoxy]-trimethylsilane

[(E)-3-[bis(3-methylbutan-2-yl)boranyl]prop-2-enoxy]-trimethylsilane (PubChem CID 10967976) has the molecular formula C16H35BOSi and a molecular weight of 282.35 g/mol. Its IUPAC name is [(E)-3-[bis(3-methylbutan-2-yl)boranyl]prop-2-enoxy]-trimethylsilane.

Molecular Properties

Compound Name[(E)-3-[bis(3-methylbutan-2-yl)boranyl]prop-2-enoxy]-trimethylsilane
PubChem CID10967976
Molecular FormulaC16H35BOSi
Molecular Weight282.35 g/mol
Exact Mass282.26
IUPAC Name[(E)-3-[bis(3-methylbutan-2-yl)boranyl]prop-2-enoxy]-trimethylsilane
SMILESCC(C)C(C)B(/C=C/CO[Si](C)(C)C)C(C)C(C)C
InChIInChI=1S/C16H35BOSi/c1-13(2)15(5)17(16(6)14(3)4)11-10-12-18-19(7,8)9/h10-11,13-16H,12H2,1-9H3/b11-10+
InChIKeyOFDWOXDNKOYFPM-ZHACJKMWSA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.35
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[(E)-4-trimethylsilyloxybut-2-enoxy]silane
CID 5366600
but-2-enoxy(trimethyl)silane
CID 554664
4-iodobut-2-enoxy(trimethyl)silane
CID 85158594
bis(3-methylbutan-2-yl)-oct-1-enylborane
CID 54380013
2,3-dimethylbutan-2-yl-[(Z)-3-methoxyprop-1-enyl]-(3-methylbutan-2-yl)borane
CID 102331515
trimethyl-[(2E)-octa-2,7-dienoxy]silane
CID 22620662
trimethyl-[(E)-undec-2-enoxy]silane
CID 5353184
3-trimethylsilyloxyprop-1-en-1-one
CID 175046619
3-trimethylsilyloxyprop-1-enylideneiron(1+)
CID 11050885
2-methyl-3-trimethylsilyloxypropanal
CID 75300382
[3,3-dimethyl-2-(trimethylsilyloxymethyl)butoxy]-trimethylsilane
CID 135070735
tert-butyl-dimethyl-prop-2-enoxysilane;trimethyl(prop-2-enoxy)silane
CID 87853444

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[bis(3-methylbutan-2-yl)boranyl]prop-2-enoxy]-trimethylsilane?
The IUPAC name of [(E)-3-[bis(3-methylbutan-2-yl)boranyl]prop-2-enoxy]-trimethylsilane (CID 10967976) is [(E)-3-[bis(3-methylbutan-2-yl)boranyl]prop-2-enoxy]-trimethylsilane.
What is the SMILES notation for [(E)-3-[bis(3-methylbutan-2-yl)boranyl]prop-2-enoxy]-trimethylsilane?
The canonical SMILES for [(E)-3-[bis(3-methylbutan-2-yl)boranyl]prop-2-enoxy]-trimethylsilane is CC(C)C(C)B(/C=C/CO[Si](C)(C)C)C(C)C(C)C.
What is the InChIKey of [(E)-3-[bis(3-methylbutan-2-yl)boranyl]prop-2-enoxy]-trimethylsilane?
The InChIKey is OFDWOXDNKOYFPM-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H35BOSi/c1-13(2)15(5)17(16(6)14(3)4)11-10-12-18-19(7,8)9/h10-11,13-16H,12H2,1-9H3/b11-10+.
What are the key properties of [(E)-3-[bis(3-methylbutan-2-yl)boranyl]prop-2-enoxy]-trimethylsilane?
[(E)-3-[bis(3-methylbutan-2-yl)boranyl]prop-2-enoxy]-trimethylsilane has a molecular weight of 282.35 g/mol, XLogP of 5.52, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[bis(3-methylbutan-2-yl)boranyl]prop-2-enoxy]-trimethylsilane is sourced from PubChem (CID 10967976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).