azane;2-[(4-chloro-2,4,5-trimethylhenicosyl)-diethoxysilyl]oxyethanol

C30H66ClNO4Si — CID 87605296

IUPACazane;2-[(4-chloro-2,4,5-trimethylhenicosyl)-diethoxysilyl]oxyethanol
SMILESCCCCCCCCCCCCCCCCC(C)C(C)(Cl)CC(C)C[Si](OCC)(OCC)OCCO.N
InChIInChI=1S/C30H63ClO4Si.H3N/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(5)30(6,31)26-28(4)27-36(33-8-2,34-9-3)35-25-24-32;/h28-29,32H,7-27H2,1-6H3;1H3
InChIKeySYHHUPZEHHFQOH-UHFFFAOYSA-N
MW568.40 g/mol
LogP9.70
Rot. Bonds27

About azane;2-[(4-chloro-2,4,5-trimethylhenicosyl)-diethoxysilyl]oxyethanol

azane;2-[(4-chloro-2,4,5-trimethylhenicosyl)-diethoxysilyl]oxyethanol (PubChem CID 87605296) has the molecular formula C30H66ClNO4Si and a molecular weight of 568.40 g/mol. Its IUPAC name is azane;2-[(4-chloro-2,4,5-trimethylhenicosyl)-diethoxysilyl]oxyethanol.

Molecular Properties

Compound Nameazane;2-[(4-chloro-2,4,5-trimethylhenicosyl)-diethoxysilyl]oxyethanol
PubChem CID87605296
Molecular FormulaC30H66ClNO4Si
Molecular Weight568.40 g/mol
Exact Mass567.44
IUPAC Nameazane;2-[(4-chloro-2,4,5-trimethylhenicosyl)-diethoxysilyl]oxyethanol
SMILESCCCCCCCCCCCCCCCCC(C)C(C)(Cl)CC(C)C[Si](OCC)(OCC)OCCO.N
InChIInChI=1S/C30H63ClO4Si.H3N/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(5)30(6,31)26-28(4)27-36(33-8-2,34-9-3)35-25-24-32;/h28-29,32H,7-27H2,1-6H3;1H3
InChIKeySYHHUPZEHHFQOH-UHFFFAOYSA-N
XLogP9.70
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds27
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.40
LogP ≤ 59.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-[(4-chloro-4,5-dimethylhenicosyl)-dimethoxysilyl]oxyethanol
CID 87605356
azane;1,4-dichloro-4,5-dimethylundecan-2-ol
CID 87699887
4-chloro-4,5-dimethyltridecane
CID 152641357
3-chloro-3-octan-2-ylpentane-1,5-diol
CID 158211848
CID 19752067
CID 19752067
triethoxy(2-heptylundecyl)silane
CID 139707869
azane;4-(2-chloropropan-2-yl)octadecyl-triethoxysilane
CID 172702580
2-(2,3-dimethyloctan-2-yloxy)ethanol
CID 142712474
1-triethoxysilylheptan-2-amine
CID 90410833
4-propyl-5-(triethoxysilylmethyl)nonadecan-4-amine
CID 87394069
2-chloro-2,3-dimethyltridecane
CID 87222996
2-chloro-2,3-dimethylnonane
CID 87897655

Frequently Asked Questions

What is the IUPAC name of azane;2-[(4-chloro-2,4,5-trimethylhenicosyl)-diethoxysilyl]oxyethanol?
The IUPAC name of azane;2-[(4-chloro-2,4,5-trimethylhenicosyl)-diethoxysilyl]oxyethanol (CID 87605296) is azane;2-[(4-chloro-2,4,5-trimethylhenicosyl)-diethoxysilyl]oxyethanol.
What is the SMILES notation for azane;2-[(4-chloro-2,4,5-trimethylhenicosyl)-diethoxysilyl]oxyethanol?
The canonical SMILES for azane;2-[(4-chloro-2,4,5-trimethylhenicosyl)-diethoxysilyl]oxyethanol is CCCCCCCCCCCCCCCCC(C)C(C)(Cl)CC(C)C[Si](OCC)(OCC)OCCO.N.
What is the InChIKey of azane;2-[(4-chloro-2,4,5-trimethylhenicosyl)-diethoxysilyl]oxyethanol?
The InChIKey is SYHHUPZEHHFQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63ClO4Si.H3N/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(5)30(6,31)26-28(4)27-36(33-8-2,34-9-3)35-25-24-32;/h28-29,32H,7-27H2,1-6H3;1H3.
What are the key properties of azane;2-[(4-chloro-2,4,5-trimethylhenicosyl)-diethoxysilyl]oxyethanol?
azane;2-[(4-chloro-2,4,5-trimethylhenicosyl)-diethoxysilyl]oxyethanol has a molecular weight of 568.40 g/mol, XLogP of 9.70, 27 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-[(4-chloro-2,4,5-trimethylhenicosyl)-diethoxysilyl]oxyethanol is sourced from PubChem (CID 87605296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).