dimethyl-[1-(4-nitrophenoxy)prop-2-enyl]silane

C11H15NO3Si — CID 154086636

IUPACdimethyl-[1-(4-nitrophenoxy)prop-2-enyl]silane
SMILESC=CC(Oc1ccc([N+](=O)[O-])cc1)[SiH](C)C
InChIInChI=1S/C11H15NO3Si/c1-4-11(16(2)3)15-10-7-5-9(6-8-10)12(13)14/h4-8,11,16H,1H2,2-3H3
InChIKeyMHOSCQMGVDEVTJ-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.55
Rot. Bonds5

About dimethyl-[1-(4-nitrophenoxy)prop-2-enyl]silane

dimethyl-[1-(4-nitrophenoxy)prop-2-enyl]silane (PubChem CID 154086636) has the molecular formula C11H15NO3Si and a molecular weight of 237.33 g/mol. Its IUPAC name is dimethyl-[1-(4-nitrophenoxy)prop-2-enyl]silane.

Molecular Properties

Compound Namedimethyl-[1-(4-nitrophenoxy)prop-2-enyl]silane
PubChem CID154086636
Molecular FormulaC11H15NO3Si
Molecular Weight237.33 g/mol
Exact Mass237.08
IUPAC Namedimethyl-[1-(4-nitrophenoxy)prop-2-enyl]silane
SMILESC=CC(Oc1ccc([N+](=O)[O-])cc1)[SiH](C)C
InChIInChI=1S/C11H15NO3Si/c1-4-11(16(2)3)15-10-7-5-9(6-8-10)12(13)14/h4-8,11,16H,1H2,2-3H3
InChIKeyMHOSCQMGVDEVTJ-UHFFFAOYSA-N
XLogP2.55
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(ethenyl)-[1-(4-nitrophenoxy)ethyl]silane
CID 154117111
1-hex-1-en-3-yloxy-4-nitrobenzene
CID 58105900
1-[1-(4-methoxyphenoxy)prop-2-enyl]-4-nitrobenzene
CID 132506412
chloromethane;(4-nitrophenyl) formate
CID 143083318
(2S)-2-(4-nitrophenoxy)propanoic acid
CID 7922614
trihydroxy-(4-nitrophenoxy)phosphanium
CID 70832943
1-hexan-3-yloxy-4-nitrobenzene
CID 147757571
1-benzhydryloxy-4-nitrobenzene
CID 7434051
(2S)-2-(4-nitrophenoxy)butanoate
CID 7858570
(2R)-2-(4-nitrophenoxy)butanoic acid
CID 7019234
N,N-dimethyl-2-(4-nitrophenoxy)propanamide
CID 43887389
1-(2,2-dichloroethenoxy)-4-nitrobenzene
CID 172715409

Frequently Asked Questions

What is the IUPAC name of dimethyl-[1-(4-nitrophenoxy)prop-2-enyl]silane?
The IUPAC name of dimethyl-[1-(4-nitrophenoxy)prop-2-enyl]silane (CID 154086636) is dimethyl-[1-(4-nitrophenoxy)prop-2-enyl]silane.
What is the SMILES notation for dimethyl-[1-(4-nitrophenoxy)prop-2-enyl]silane?
The canonical SMILES for dimethyl-[1-(4-nitrophenoxy)prop-2-enyl]silane is C=CC(Oc1ccc([N+](=O)[O-])cc1)[SiH](C)C.
What is the InChIKey of dimethyl-[1-(4-nitrophenoxy)prop-2-enyl]silane?
The InChIKey is MHOSCQMGVDEVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3Si/c1-4-11(16(2)3)15-10-7-5-9(6-8-10)12(13)14/h4-8,11,16H,1H2,2-3H3.
What are the key properties of dimethyl-[1-(4-nitrophenoxy)prop-2-enyl]silane?
dimethyl-[1-(4-nitrophenoxy)prop-2-enyl]silane has a molecular weight of 237.33 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[1-(4-nitrophenoxy)prop-2-enyl]silane is sourced from PubChem (CID 154086636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).