N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]-N-phenylaniline

C20H27NO2Si — CID 140762875

IUPACN-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]-N-phenylaniline
SMILESC[Si]1(C)CCCOCC(CN(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C20H27NO2Si/c1-24(2)15-9-14-22-17-20(23-24)16-21(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20H,9,14-17H2,1-2H3
InChIKeyBWZHCSBAQQBARH-UHFFFAOYSA-N
MW341.53 g/mol
LogP4.84
Rot. Bonds4

About N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]-N-phenylaniline

N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]-N-phenylaniline (PubChem CID 140762875) has the molecular formula C20H27NO2Si and a molecular weight of 341.53 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]-N-phenylaniline.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]-N-phenylaniline
PubChem CID140762875
Molecular FormulaC20H27NO2Si
Molecular Weight341.53 g/mol
Exact Mass341.18
IUPAC NameN-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]-N-phenylaniline
SMILESC[Si]1(C)CCCOCC(CN(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C20H27NO2Si/c1-24(2)15-9-14-22-17-20(23-24)16-21(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20H,9,14-17H2,1-2H3
InChIKeyBWZHCSBAQQBARH-UHFFFAOYSA-N
XLogP4.84
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.53
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]-N-phenylaniline?
The IUPAC name of N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]-N-phenylaniline (CID 140762875) is N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]-N-phenylaniline.
What is the SMILES notation for N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]-N-phenylaniline?
The canonical SMILES for N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]-N-phenylaniline is C[Si]1(C)CCCOCC(CN(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]-N-phenylaniline?
The InChIKey is BWZHCSBAQQBARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2Si/c1-24(2)15-9-14-22-17-20(23-24)16-21(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20H,9,14-17H2,1-2H3.
What are the key properties of N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]-N-phenylaniline?
N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]-N-phenylaniline has a molecular weight of 341.53 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,6,2-dioxasilocan-8-yl)methyl]-N-phenylaniline is sourced from PubChem (CID 140762875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).