3-phenylbut-3-enoxysilane

C10H14OSi — CID 173347407

IUPAC3-phenylbut-3-enoxysilane
SMILESC=C(CCO[SiH3])c1ccccc1
InChIInChI=1S/C10H14OSi/c1-9(7-8-11-12)10-5-3-2-4-6-10/h2-6H,1,7-8H2,12H3
InChIKeyDSEODDIGKIWWKG-UHFFFAOYSA-N
MW178.31 g/mol
LogP1.39
Rot. Bonds4

About 3-phenylbut-3-enoxysilane

3-phenylbut-3-enoxysilane (PubChem CID 173347407) has the molecular formula C10H14OSi and a molecular weight of 178.31 g/mol. Its IUPAC name is 3-phenylbut-3-enoxysilane.

Molecular Properties

Compound Name3-phenylbut-3-enoxysilane
PubChem CID173347407
Molecular FormulaC10H14OSi
Molecular Weight178.31 g/mol
Exact Mass178.08
IUPAC Name3-phenylbut-3-enoxysilane
SMILESC=C(CCO[SiH3])c1ccccc1
InChIInChI=1S/C10H14OSi/c1-9(7-8-11-12)10-5-3-2-4-6-10/h2-6H,1,7-8H2,12H3
InChIKeyDSEODDIGKIWWKG-UHFFFAOYSA-N
XLogP1.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.31
LogP ≤ 51.39
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

3-phenylbut-3-enoxymethanol
CID 177419469
pent-1-en-2-ylbenzene
CID 521761
CID 101454794
CID 101454794
trimethoxy(3-phenylbut-3-enyl)silane
CID 66830761
N-methyl-N-(3-phenylbut-3-enyl)aniline
CID 138977624
2-(3-phenylbut-3-enylsulfanyl)ethanol
CID 141421838
4-phenylpent-4-enoic acid;phosphenous acid
CID 175528610
CID 136722619
CID 136722619
(2-methoxy-5-phenylhex-5-en-2-yl)benzene
CID 71382828
5-methylhept-1-en-2-ylbenzene
CID 90870775
hex-1-en-2-ylbenzene;propan-2-one
CID 142095367
3-phenylbut-3-enoic acid
CID 10702134

Frequently Asked Questions

What is the IUPAC name of 3-phenylbut-3-enoxysilane?
The IUPAC name of 3-phenylbut-3-enoxysilane (CID 173347407) is 3-phenylbut-3-enoxysilane.
What is the SMILES notation for 3-phenylbut-3-enoxysilane?
The canonical SMILES for 3-phenylbut-3-enoxysilane is C=C(CCO[SiH3])c1ccccc1.
What is the InChIKey of 3-phenylbut-3-enoxysilane?
The InChIKey is DSEODDIGKIWWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OSi/c1-9(7-8-11-12)10-5-3-2-4-6-10/h2-6H,1,7-8H2,12H3.
What are the key properties of 3-phenylbut-3-enoxysilane?
3-phenylbut-3-enoxysilane has a molecular weight of 178.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylbut-3-enoxysilane is sourced from PubChem (CID 173347407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).