triethyl-[(1R)-1-(4-methoxyphenyl)-2-methylidenebut-3-enoxy]silane

C18H28O2Si — CID 25098921

IUPACtriethyl-[(1R)-1-(4-methoxyphenyl)-2-methylidenebut-3-enoxy]silane
SMILESC=CC(=C)[C@@H](O[Si](CC)(CC)CC)c1ccc(OC)cc1
InChIInChI=1S/C18H28O2Si/c1-7-15(5)18(20-21(8-2,9-3)10-4)16-11-13-17(19-6)14-12-16/h7,11-14,18H,1,5,8-10H2,2-4,6H3/t18-/m1/s1
InChIKeyHUMOJJJAWDGNSY-GOSISDBHSA-N
MW304.51 g/mol
LogP5.50
Rot. Bonds9

About triethyl-[(1R)-1-(4-methoxyphenyl)-2-methylidenebut-3-enoxy]silane

triethyl-[(1R)-1-(4-methoxyphenyl)-2-methylidenebut-3-enoxy]silane (PubChem CID 25098921) has the molecular formula C18H28O2Si and a molecular weight of 304.51 g/mol. Its IUPAC name is triethyl-[(1R)-1-(4-methoxyphenyl)-2-methylidenebut-3-enoxy]silane.

Molecular Properties

Compound Nametriethyl-[(1R)-1-(4-methoxyphenyl)-2-methylidenebut-3-enoxy]silane
PubChem CID25098921
Molecular FormulaC18H28O2Si
Molecular Weight304.51 g/mol
Exact Mass304.19
IUPAC Nametriethyl-[(1R)-1-(4-methoxyphenyl)-2-methylidenebut-3-enoxy]silane
SMILESC=CC(=C)[C@@H](O[Si](CC)(CC)CC)c1ccc(OC)cc1
InChIInChI=1S/C18H28O2Si/c1-7-15(5)18(20-21(8-2,9-3)10-4)16-11-13-17(19-6)14-12-16/h7,11-14,18H,1,5,8-10H2,2-4,6H3/t18-/m1/s1
InChIKeyHUMOJJJAWDGNSY-GOSISDBHSA-N
XLogP5.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.51
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

triethyl-[(1S)-1-(4-methoxyphenyl)prop-2-enoxy]silane
CID 134880448
[(Z,1R)-2-butyl-1-(4-methoxyphenyl)hex-2-enoxy]-triethylsilane
CID 102351337
1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 10912530
[1-(4-methoxyphenyl)-3-methylbut-3-enoxy]-trimethylsilane
CID 89035107
ethane;1-hex-5-en-3-yl-4-methoxybenzene
CID 142172169
CID 175713586
CID 175713586
ethyl 2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-enoate
CID 11447702
1-methoxy-4-(1-methoxyprop-2-enyl)benzene
CID 14594939
2-ethyl-1-(4-methoxyphenyl)butane-1,2-diol
CID 103449306
1-methoxy-4-[(1E)-1-(4-methoxyphenyl)-5-methylhexa-1,5-dien-3-yl]benzene
CID 56837291
(3R)-3-ethyl-2-(4-methoxyphenyl)pent-4-enoic acid
CID 142815770
2-(4-methoxyphenyl)-2-propoxyacetic acid
CID 83223962

Frequently Asked Questions

What is the IUPAC name of triethyl-[(1R)-1-(4-methoxyphenyl)-2-methylidenebut-3-enoxy]silane?
The IUPAC name of triethyl-[(1R)-1-(4-methoxyphenyl)-2-methylidenebut-3-enoxy]silane (CID 25098921) is triethyl-[(1R)-1-(4-methoxyphenyl)-2-methylidenebut-3-enoxy]silane.
What is the SMILES notation for triethyl-[(1R)-1-(4-methoxyphenyl)-2-methylidenebut-3-enoxy]silane?
The canonical SMILES for triethyl-[(1R)-1-(4-methoxyphenyl)-2-methylidenebut-3-enoxy]silane is C=CC(=C)[C@@H](O[Si](CC)(CC)CC)c1ccc(OC)cc1.
What is the InChIKey of triethyl-[(1R)-1-(4-methoxyphenyl)-2-methylidenebut-3-enoxy]silane?
The InChIKey is HUMOJJJAWDGNSY-GOSISDBHSA-N. The full InChI is InChI=1S/C18H28O2Si/c1-7-15(5)18(20-21(8-2,9-3)10-4)16-11-13-17(19-6)14-12-16/h7,11-14,18H,1,5,8-10H2,2-4,6H3/t18-/m1/s1.
What are the key properties of triethyl-[(1R)-1-(4-methoxyphenyl)-2-methylidenebut-3-enoxy]silane?
triethyl-[(1R)-1-(4-methoxyphenyl)-2-methylidenebut-3-enoxy]silane has a molecular weight of 304.51 g/mol, XLogP of 5.50, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(1R)-1-(4-methoxyphenyl)-2-methylidenebut-3-enoxy]silane is sourced from PubChem (CID 25098921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).