azane;4-(2-chloroethyl)pentadecan-3-yl-trimethoxysilane

C20H46ClNO3Si — CID 87229345

IUPACazane;4-(2-chloroethyl)pentadecan-3-yl-trimethoxysilane
SMILESCCCCCCCCCCCC(CCCl)C(CC)[Si](OC)(OC)OC.N
InChIInChI=1S/C20H43ClO3Si.H3N/c1-6-8-9-10-11-12-13-14-15-16-19(17-18-21)20(7-2)25(22-3,23-4)24-5;/h19-20H,6-18H2,1-5H3;1H3
InChIKeyWSMNPBAYHGMGOE-UHFFFAOYSA-N
MW412.13 g/mol
LogP6.97
Rot. Bonds18

About azane;4-(2-chloroethyl)pentadecan-3-yl-trimethoxysilane

azane;4-(2-chloroethyl)pentadecan-3-yl-trimethoxysilane (PubChem CID 87229345) has the molecular formula C20H46ClNO3Si and a molecular weight of 412.13 g/mol. Its IUPAC name is azane;4-(2-chloroethyl)pentadecan-3-yl-trimethoxysilane.

Molecular Properties

Compound Nameazane;4-(2-chloroethyl)pentadecan-3-yl-trimethoxysilane
PubChem CID87229345
Molecular FormulaC20H46ClNO3Si
Molecular Weight412.13 g/mol
Exact Mass411.29
IUPAC Nameazane;4-(2-chloroethyl)pentadecan-3-yl-trimethoxysilane
SMILESCCCCCCCCCCCC(CCCl)C(CC)[Si](OC)(OC)OC.N
InChIInChI=1S/C20H43ClO3Si.H3N/c1-6-8-9-10-11-12-13-14-15-16-19(17-18-21)20(7-2)25(22-3,23-4)24-5;/h19-20H,6-18H2,1-5H3;1H3
InChIKeyWSMNPBAYHGMGOE-UHFFFAOYSA-N
XLogP6.97
TPSA62.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.13
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;4-(2-chloroethyl)tricosan-3-yl-trimethoxysilane
CID 87229515
4-ethylnonadecan-3-yl(trimethoxy)silane
CID 88743379
2-methyl-3-(1-trimethoxysilylpropyl)heptadecan-2-amine
CID 87122398
1-trimethoxysilyloctan-1-amine
CID 87463125
9,10-diethyloctadecane
CID 530164
azane;1,3-dichloropentadecane
CID 87123860
9,10-dioctylhexacosane
CID 21470284
7,8-dihexylicosane
CID 21490611
2-methyl-3-propyl-4-trimethoxysilylheptadecan-2-amine
CID 53482216
19-heptadecan-3-ylnonatriacontane
CID 57212477
5,6-diethyldodecane
CID 90761715
6-ethyl-7-pentyltetradecane
CID 123140274

Frequently Asked Questions

What is the IUPAC name of azane;4-(2-chloroethyl)pentadecan-3-yl-trimethoxysilane?
The IUPAC name of azane;4-(2-chloroethyl)pentadecan-3-yl-trimethoxysilane (CID 87229345) is azane;4-(2-chloroethyl)pentadecan-3-yl-trimethoxysilane.
What is the SMILES notation for azane;4-(2-chloroethyl)pentadecan-3-yl-trimethoxysilane?
The canonical SMILES for azane;4-(2-chloroethyl)pentadecan-3-yl-trimethoxysilane is CCCCCCCCCCCC(CCCl)C(CC)[Si](OC)(OC)OC.N.
What is the InChIKey of azane;4-(2-chloroethyl)pentadecan-3-yl-trimethoxysilane?
The InChIKey is WSMNPBAYHGMGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43ClO3Si.H3N/c1-6-8-9-10-11-12-13-14-15-16-19(17-18-21)20(7-2)25(22-3,23-4)24-5;/h19-20H,6-18H2,1-5H3;1H3.
What are the key properties of azane;4-(2-chloroethyl)pentadecan-3-yl-trimethoxysilane?
azane;4-(2-chloroethyl)pentadecan-3-yl-trimethoxysilane has a molecular weight of 412.13 g/mol, XLogP of 6.97, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-(2-chloroethyl)pentadecan-3-yl-trimethoxysilane is sourced from PubChem (CID 87229345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).