3-[4-[2-(4-nitrophenyl)ethenyl]phenoxy]propyl-dipropoxysilane

C23H31NO5Si — CID 173344914

IUPAC3-[4-[2-(4-nitrophenyl)ethenyl]phenoxy]propyl-dipropoxysilane
SMILESCCCO[SiH](CCCOc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1)OCCC
InChIInChI=1S/C23H31NO5Si/c1-3-16-28-30(29-17-4-2)19-5-18-27-23-14-10-21(11-15-23)7-6-20-8-12-22(13-9-20)24(25)26/h6-15,30H,3-5,16-19H2,1-2H3
InChIKeySWMALYFPHQDPAK-UHFFFAOYSA-N
MW429.59 g/mol
LogP5.61
Rot. Bonds14

About 3-[4-[2-(4-nitrophenyl)ethenyl]phenoxy]propyl-dipropoxysilane

3-[4-[2-(4-nitrophenyl)ethenyl]phenoxy]propyl-dipropoxysilane (PubChem CID 173344914) has the molecular formula C23H31NO5Si and a molecular weight of 429.59 g/mol. Its IUPAC name is 3-[4-[2-(4-nitrophenyl)ethenyl]phenoxy]propyl-dipropoxysilane.

Molecular Properties

Compound Name3-[4-[2-(4-nitrophenyl)ethenyl]phenoxy]propyl-dipropoxysilane
PubChem CID173344914
Molecular FormulaC23H31NO5Si
Molecular Weight429.59 g/mol
Exact Mass429.20
IUPAC Name3-[4-[2-(4-nitrophenyl)ethenyl]phenoxy]propyl-dipropoxysilane
SMILESCCCO[SiH](CCCOc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1)OCCC
InChIInChI=1S/C23H31NO5Si/c1-3-16-28-30(29-17-4-2)19-5-18-27-23-14-10-21(11-15-23)7-6-20-8-12-22(13-9-20)24(25)26/h6-15,30H,3-5,16-19H2,1-2H3
InChIKeySWMALYFPHQDPAK-UHFFFAOYSA-N
XLogP5.61
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.59
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-nitro-4-[(1E,3E,5E)-6-(4-propoxyphenyl)hexa-1,3,5-trienyl]benzene
CID 139039273
(E)-3-(4-nitrophenyl)-1-(4-propoxyphenyl)prop-2-en-1-one
CID 8828153
1-nitro-4-octadecoxybenzene
CID 4258205
N,N-bis(4-ethoxyphenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 102288244
(E)-N-(4-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 17186941
1-nitro-4-(4-pentoxyphenyl)benzene
CID 4261688
formic acid;1-hexoxy-4-nitrobenzene
CID 171658812
N-[(E)-[3,5-bis[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]methylideneamino]-4-nitroaniline
CID 177407664
11-[4-[2-(4-nitrophenyl)ethenyl]phenoxy]undecyl 2-methylprop-2-enoate
CID 54394617
5-nitro-2-[(E)-2-(4-propoxyphenyl)ethenyl]-1,3-benzothiazole
CID 16959660
trimethoxy-[3-(4-nitrophenoxy)propyl]silane
CID 70700788
1-butyl-4-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
CID 59899422

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-nitrophenyl)ethenyl]phenoxy]propyl-dipropoxysilane?
The IUPAC name of 3-[4-[2-(4-nitrophenyl)ethenyl]phenoxy]propyl-dipropoxysilane (CID 173344914) is 3-[4-[2-(4-nitrophenyl)ethenyl]phenoxy]propyl-dipropoxysilane.
What is the SMILES notation for 3-[4-[2-(4-nitrophenyl)ethenyl]phenoxy]propyl-dipropoxysilane?
The canonical SMILES for 3-[4-[2-(4-nitrophenyl)ethenyl]phenoxy]propyl-dipropoxysilane is CCCO[SiH](CCCOc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1)OCCC.
What is the InChIKey of 3-[4-[2-(4-nitrophenyl)ethenyl]phenoxy]propyl-dipropoxysilane?
The InChIKey is SWMALYFPHQDPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO5Si/c1-3-16-28-30(29-17-4-2)19-5-18-27-23-14-10-21(11-15-23)7-6-20-8-12-22(13-9-20)24(25)26/h6-15,30H,3-5,16-19H2,1-2H3.
What are the key properties of 3-[4-[2-(4-nitrophenyl)ethenyl]phenoxy]propyl-dipropoxysilane?
3-[4-[2-(4-nitrophenyl)ethenyl]phenoxy]propyl-dipropoxysilane has a molecular weight of 429.59 g/mol, XLogP of 5.61, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-nitrophenyl)ethenyl]phenoxy]propyl-dipropoxysilane is sourced from PubChem (CID 173344914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).