CID 19752067

C26H59ClNO3Si2+ — CID 19752067

IUPAC—
SMILESCCCCCCCCCCCCCCCCC(C)C(C)(Cl)CCC[Si](OC)(OC)OC.[NH4+].[Si]
InChIInChI=1S/C26H55ClO3Si.H3N.Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(2)26(3,27)23-21-24-31(28-4,29-5)30-6;;/h25H,7-24H2,1-6H3;1H3;/p+1
InChIKeyXNUGUDYAQBEAJB-UHFFFAOYSA-O
MW525.39 g/mol
LogP9.15
Rot. Bonds23

About CID 19752067

CID 19752067 (PubChem CID 19752067) has the molecular formula C26H59ClNO3Si2+ and a molecular weight of 525.39 g/mol.

Molecular Properties

Compound NameCID 19752067
PubChem CID19752067
Molecular FormulaC26H59ClNO3Si2+
Molecular Weight525.39 g/mol
Exact Mass524.37
IUPAC Name—
SMILESCCCCCCCCCCCCCCCCC(C)C(C)(Cl)CCC[Si](OC)(OC)OC.[NH4+].[Si]
InChIInChI=1S/C26H55ClO3Si.H3N.Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(2)26(3,27)23-21-24-31(28-4,29-5)30-6;;/h25H,7-24H2,1-6H3;1H3;/p+1
InChIKeyXNUGUDYAQBEAJB-UHFFFAOYSA-O
XLogP9.15
TPSA64.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.39
LogP ≤ 59.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
(4-chloro-4,5-dimethylhenicosyl)-dimethoxysilane
CID 173109650
4-chloro-4,5-dimethyltridecane
CID 152641357
azane;(4-chloro-4-decyltetradecyl)-trimethoxysilane
CID 87152956
4,4-dimethylnonadecyl(trimethoxy)silane
CID 141086042
trimethoxy(4-methylicosyl)silane
CID 88743380
4-chlorohenicosyl(trimethoxy)silane
CID 141333665
2-chloro-2,3-dimethylnonane
CID 87897655
2-chloro-2,3-dimethyltridecane
CID 87222996
dodecyl(trimethoxy)silane;octane
CID 174570785
trimethoxy(pentacontyl)silane
CID 87930715
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771

Frequently Asked Questions

What is the IUPAC name of CID 19752067?
The IUPAC name of CID 19752067 (CID 19752067) is not available.
What is the SMILES notation for CID 19752067?
The canonical SMILES for CID 19752067 is CCCCCCCCCCCCCCCCC(C)C(C)(Cl)CCC[Si](OC)(OC)OC.[NH4+].[Si].
What is the InChIKey of CID 19752067?
The InChIKey is XNUGUDYAQBEAJB-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H55ClO3Si.H3N.Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(2)26(3,27)23-21-24-31(28-4,29-5)30-6;;/h25H,7-24H2,1-6H3;1H3;/p+1.
What are the key properties of CID 19752067?
CID 19752067 has a molecular weight of 525.39 g/mol, XLogP of 9.15, 23 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19752067 is sourced from PubChem (CID 19752067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).