[(3E)-4-(4-nitrophenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane

C19H29NO3Si — CID 154710233

IUPAC[(3E)-4-(4-nitrophenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane
SMILESC=C(/C=C/c1ccc([N+](=O)[O-])cc1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H29NO3Si/c1-14(2)24(15(3)4,16(5)6)23-17(7)8-9-18-10-12-19(13-11-18)20(21)22/h8-16H,7H2,1-6H3/b9-8+
InChIKeyPFJIHUYFISUKRJ-CMDGGOBGSA-N
MW347.53 g/mol
LogP6.31
Rot. Bonds8

About [(3E)-4-(4-nitrophenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane

[(3E)-4-(4-nitrophenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane (PubChem CID 154710233) has the molecular formula C19H29NO3Si and a molecular weight of 347.53 g/mol. Its IUPAC name is [(3E)-4-(4-nitrophenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3E)-4-(4-nitrophenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane
PubChem CID154710233
Molecular FormulaC19H29NO3Si
Molecular Weight347.53 g/mol
Exact Mass347.19
IUPAC Name[(3E)-4-(4-nitrophenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane
SMILESC=C(/C=C/c1ccc([N+](=O)[O-])cc1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H29NO3Si/c1-14(2)24(15(3)4,16(5)6)23-17(7)8-9-18-10-12-19(13-11-18)20(21)22/h8-16H,7H2,1-6H3/b9-8+
InChIKeyPFJIHUYFISUKRJ-CMDGGOBGSA-N
XLogP6.31
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.53
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(1E,3E)-4-(4-nitrophenyl)-1-phenylbuta-1,3-dienoxy]-tri(propan-2-yl)silane
CID 177460480
(Z)-4-(4-nitrophenyl)but-3-en-2-one
CID 11769342
(E,2S)-4-(4-nitrophenyl)but-3-en-2-ol
CID 23730866
ethane;(E)-3-(4-nitrophenyl)prop-2-enoyl chloride
CID 145020491
N-[(E)-2-(4-nitrophenyl)ethenyl]-N-propan-2-ylpropan-2-amine
CID 146169982
(E)-N-but-3-yn-2-yl-3-(4-nitrophenyl)prop-2-enamide
CID 114419006
(1E,4E)-1-(4-methylphenyl)-5-(4-nitrophenyl)penta-1,4-dien-3-one
CID 13188494
(E,4R,5R)-5-hydroxy-4-methyl-1,5-bis(4-nitrophenyl)pent-1-en-3-one
CID 101426539
4-(4-nitrophenyl)-2-oxobut-3-enoic acid
CID 71363247
2-methyl-N-[3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]phenyl]propanamide
CID 17189316
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(4-nitrophenyl)prop-2-enoate
CID 5204131
O-ethyl (E)-3-(4-nitrophenyl)prop-2-enethioate
CID 6450716

Frequently Asked Questions

What is the IUPAC name of [(3E)-4-(4-nitrophenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(3E)-4-(4-nitrophenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane (CID 154710233) is [(3E)-4-(4-nitrophenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(3E)-4-(4-nitrophenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(3E)-4-(4-nitrophenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane is C=C(/C=C/c1ccc([N+](=O)[O-])cc1)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(3E)-4-(4-nitrophenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is PFJIHUYFISUKRJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H29NO3Si/c1-14(2)24(15(3)4,16(5)6)23-17(7)8-9-18-10-12-19(13-11-18)20(21)22/h8-16H,7H2,1-6H3/b9-8+.
What are the key properties of [(3E)-4-(4-nitrophenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane?
[(3E)-4-(4-nitrophenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 347.53 g/mol, XLogP of 6.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-4-(4-nitrophenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 154710233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).