trimethyl-[(2Z,4E)-4-methyl-5-(4-nitrophenyl)penta-2,4-dien-2-yl]stannane

C15H21NO2Sn — CID 11552342

IUPACtrimethyl-[(2Z,4E)-4-methyl-5-(4-nitrophenyl)penta-2,4-dien-2-yl]stannane
SMILESC/C(=C/C(C)=C/c1ccc([N+](=O)[O-])cc1)[Sn](C)(C)C
InChIInChI=1S/C12H12NO2.3CH3.Sn/c1-3-4-10(2)9-11-5-7-12(8-6-11)13(14)15;;;;/h4-9H,1-2H3;3*1H3;/b4-3?,10-9+;;;;
InChIKeyAJDAQOZQTWVYON-YKHOUAJTSA-N
MW366.05 g/mol
LogP4.82
Rot. Bonds4

About trimethyl-[(2Z,4E)-4-methyl-5-(4-nitrophenyl)penta-2,4-dien-2-yl]stannane

trimethyl-[(2Z,4E)-4-methyl-5-(4-nitrophenyl)penta-2,4-dien-2-yl]stannane (PubChem CID 11552342) has the molecular formula C15H21NO2Sn and a molecular weight of 366.05 g/mol. Its IUPAC name is trimethyl-[(2Z,4E)-4-methyl-5-(4-nitrophenyl)penta-2,4-dien-2-yl]stannane.

Molecular Properties

Compound Nametrimethyl-[(2Z,4E)-4-methyl-5-(4-nitrophenyl)penta-2,4-dien-2-yl]stannane
PubChem CID11552342
Molecular FormulaC15H21NO2Sn
Molecular Weight366.05 g/mol
Exact Mass367.06
IUPAC Nametrimethyl-[(2Z,4E)-4-methyl-5-(4-nitrophenyl)penta-2,4-dien-2-yl]stannane
SMILESC/C(=C/C(C)=C/c1ccc([N+](=O)[O-])cc1)[Sn](C)(C)C
InChIInChI=1S/C12H12NO2.3CH3.Sn/c1-3-4-10(2)9-11-5-7-12(8-6-11)13(14)15;;;;/h4-9H,1-2H3;3*1H3;/b4-3?,10-9+;;;;
InChIKeyAJDAQOZQTWVYON-YKHOUAJTSA-N
XLogP4.82
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.05
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

(Z)-3-fluoro-4-(4-nitrophenyl)but-3-en-2-one
CID 11586518
3-methyl-5-(4-nitrophenyl)penta-2,4-dienoic acid
CID 3730066
(Z)-4-(4-nitrophenyl)but-3-en-2-one
CID 11769342
methyl (Z)-2-acetamido-3-(4-nitrophenyl)prop-2-enoate
CID 10912370
1-[(E)-2-fluorobut-1-enyl]-4-nitrobenzene
CID 44549550
[2-(4-nitrophenyl)-1-phosphonoethenyl]phosphonic acid
CID 23271390
(4-nitrophenyl) ethaneperoxoate
CID 14923215
1-[(Z)-2-bromo-2-methylsulfonylethenyl]-4-nitrobenzene
CID 162400501
1-ethenyl-4-nitrobenzene;1-(4-nitrophenyl)ethanone
CID 88505164
1-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-4-nitrobenzene
CID 11299727
(Z)-3-(4-nitrophenyl)-2-sulfanylprop-2-enoic acid
CID 66488736
(E)-1-(4-chlorophenyl)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ol
CID 46868797

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2Z,4E)-4-methyl-5-(4-nitrophenyl)penta-2,4-dien-2-yl]stannane?
The IUPAC name of trimethyl-[(2Z,4E)-4-methyl-5-(4-nitrophenyl)penta-2,4-dien-2-yl]stannane (CID 11552342) is trimethyl-[(2Z,4E)-4-methyl-5-(4-nitrophenyl)penta-2,4-dien-2-yl]stannane.
What is the SMILES notation for trimethyl-[(2Z,4E)-4-methyl-5-(4-nitrophenyl)penta-2,4-dien-2-yl]stannane?
The canonical SMILES for trimethyl-[(2Z,4E)-4-methyl-5-(4-nitrophenyl)penta-2,4-dien-2-yl]stannane is C/C(=C/C(C)=C/c1ccc([N+](=O)[O-])cc1)[Sn](C)(C)C.
What is the InChIKey of trimethyl-[(2Z,4E)-4-methyl-5-(4-nitrophenyl)penta-2,4-dien-2-yl]stannane?
The InChIKey is AJDAQOZQTWVYON-YKHOUAJTSA-N. The full InChI is InChI=1S/C12H12NO2.3CH3.Sn/c1-3-4-10(2)9-11-5-7-12(8-6-11)13(14)15;;;;/h4-9H,1-2H3;3*1H3;/b4-3?,10-9+;;;;.
What are the key properties of trimethyl-[(2Z,4E)-4-methyl-5-(4-nitrophenyl)penta-2,4-dien-2-yl]stannane?
trimethyl-[(2Z,4E)-4-methyl-5-(4-nitrophenyl)penta-2,4-dien-2-yl]stannane has a molecular weight of 366.05 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2Z,4E)-4-methyl-5-(4-nitrophenyl)penta-2,4-dien-2-yl]stannane is sourced from PubChem (CID 11552342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).