azane;(4-chloro-4-decyltetradecyl)-trimethoxysilane

C27H60ClNO3Si — CID 87152956

IUPACazane;(4-chloro-4-decyltetradecyl)-trimethoxysilane
SMILESCCCCCCCCCCC(Cl)(CCCCCCCCCC)CCC[Si](OC)(OC)OC.N
InChIInChI=1S/C27H57ClO3Si.H3N/c1-6-8-10-12-14-16-18-20-23-27(28,24-21-19-17-15-13-11-9-7-2)25-22-26-32(29-3,30-4)31-5;/h6-26H2,1-5H3;1H3
InChIKeyTZELCGFWCZIJOR-UHFFFAOYSA-N
MW510.32 g/mol
LogP9.85
Rot. Bonds25

About azane;(4-chloro-4-decyltetradecyl)-trimethoxysilane

azane;(4-chloro-4-decyltetradecyl)-trimethoxysilane (PubChem CID 87152956) has the molecular formula C27H60ClNO3Si and a molecular weight of 510.32 g/mol. Its IUPAC name is azane;(4-chloro-4-decyltetradecyl)-trimethoxysilane.

Molecular Properties

Compound Nameazane;(4-chloro-4-decyltetradecyl)-trimethoxysilane
PubChem CID87152956
Molecular FormulaC27H60ClNO3Si
Molecular Weight510.32 g/mol
Exact Mass509.40
IUPAC Nameazane;(4-chloro-4-decyltetradecyl)-trimethoxysilane
SMILESCCCCCCCCCCC(Cl)(CCCCCCCCCC)CCC[Si](OC)(OC)OC.N
InChIInChI=1S/C27H57ClO3Si.H3N/c1-6-8-10-12-14-16-18-20-23-27(28,24-21-19-17-15-13-11-9-7-2)25-22-26-32(29-3,30-4)31-5;/h6-26H2,1-5H3;1H3
InChIKeyTZELCGFWCZIJOR-UHFFFAOYSA-N
XLogP9.85
TPSA62.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.32
LogP ≤ 59.85
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;12-chloro-12-undecyltetracosane
CID 88840214
4,4-dimethylnonadecyl(trimethoxy)silane
CID 141086042
azane;9-chloro-9-octyloctadecane;hydron
CID 22328165
11-chloro-11-nonylhenicosane
CID 154304707
11-chloro-11-decylpentacosane
CID 19690403
7-chloro-7-hexylheptadecane
CID 141000501
trimethoxy(pentacontyl)silane
CID 87930715
azane;trimethoxy(pentyl)silane
CID 19608931
dodecyl(trimethoxy)silane;octane
CID 174570785
hexacosyl(trimethoxy)silane
CID 150262252
azane;5-butyl-5-chlorodecane
CID 88839636
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771

Frequently Asked Questions

What is the IUPAC name of azane;(4-chloro-4-decyltetradecyl)-trimethoxysilane?
The IUPAC name of azane;(4-chloro-4-decyltetradecyl)-trimethoxysilane (CID 87152956) is azane;(4-chloro-4-decyltetradecyl)-trimethoxysilane.
What is the SMILES notation for azane;(4-chloro-4-decyltetradecyl)-trimethoxysilane?
The canonical SMILES for azane;(4-chloro-4-decyltetradecyl)-trimethoxysilane is CCCCCCCCCCC(Cl)(CCCCCCCCCC)CCC[Si](OC)(OC)OC.N.
What is the InChIKey of azane;(4-chloro-4-decyltetradecyl)-trimethoxysilane?
The InChIKey is TZELCGFWCZIJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57ClO3Si.H3N/c1-6-8-10-12-14-16-18-20-23-27(28,24-21-19-17-15-13-11-9-7-2)25-22-26-32(29-3,30-4)31-5;/h6-26H2,1-5H3;1H3.
What are the key properties of azane;(4-chloro-4-decyltetradecyl)-trimethoxysilane?
azane;(4-chloro-4-decyltetradecyl)-trimethoxysilane has a molecular weight of 510.32 g/mol, XLogP of 9.85, 25 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(4-chloro-4-decyltetradecyl)-trimethoxysilane is sourced from PubChem (CID 87152956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).