(2-chloro-2-methyldocosan-4-yl)-trimethoxysilane

C26H55ClO3Si — CID 162505004

IUPAC(2-chloro-2-methyldocosan-4-yl)-trimethoxysilane
SMILESCCCCCCCCCCCCCCCCCCC(CC(C)(C)Cl)[Si](OC)(OC)OC
InChIInChI=1S/C26H55ClO3Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(24-26(2,3)27)31(28-4,29-5)30-6/h25H,7-24H2,1-6H3
InChIKeyAKKYNMDLCMCKOK-UHFFFAOYSA-N
MW479.26 g/mol
LogP9.29
Rot. Bonds23

About (2-chloro-2-methyldocosan-4-yl)-trimethoxysilane

(2-chloro-2-methyldocosan-4-yl)-trimethoxysilane (PubChem CID 162505004) has the molecular formula C26H55ClO3Si and a molecular weight of 479.26 g/mol. Its IUPAC name is (2-chloro-2-methyldocosan-4-yl)-trimethoxysilane.

Molecular Properties

Compound Name(2-chloro-2-methyldocosan-4-yl)-trimethoxysilane
PubChem CID162505004
Molecular FormulaC26H55ClO3Si
Molecular Weight479.26 g/mol
Exact Mass478.36
IUPAC Name(2-chloro-2-methyldocosan-4-yl)-trimethoxysilane
SMILESCCCCCCCCCCCCCCCCCCC(CC(C)(C)Cl)[Si](OC)(OC)OC
InChIInChI=1S/C26H55ClO3Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(24-26(2,3)27)31(28-4,29-5)30-6/h25H,7-24H2,1-6H3
InChIKeyAKKYNMDLCMCKOK-UHFFFAOYSA-N
XLogP9.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.26
LogP ≤ 59.29
H-Bond Donors ≤ 50
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

3-trimethoxysilyltetradecan-1-amine
CID 22997270
trimethoxy(1-trimethoxysilyloctan-2-yl)silane
CID 154069020
8-trimethoxysilylhenicosan-11-amine;hydrochloride
CID 173245957
N,N-dimethyl-6-trimethoxysilylhenicosan-4-amine
CID 19829018
1-trimethoxysilyloctan-1-amine
CID 87463125
N,N-dimethyl-6-trimethoxysilylpentadecan-4-amine;hydrochloride
CID 173083767
dimethyl(6-trimethoxysilylhenicosan-4-yl)azanium chloride
CID 19829019
2-methyl-3-(1-trimethoxysilylpropyl)heptadecan-2-amine
CID 87122398
2-methyl-3-propyl-4-trimethoxysilylheptadecan-2-amine
CID 53482216
hydroxy-dimethoxy-undecan-6-ylsilane
CID 20692336
9-(2-chloropropan-2-yl)heptacosane
CID 151482832
9-(2-chloropropan-2-yl)heptadecane
CID 151028033

Frequently Asked Questions

What is the IUPAC name of (2-chloro-2-methyldocosan-4-yl)-trimethoxysilane?
The IUPAC name of (2-chloro-2-methyldocosan-4-yl)-trimethoxysilane (CID 162505004) is (2-chloro-2-methyldocosan-4-yl)-trimethoxysilane.
What is the SMILES notation for (2-chloro-2-methyldocosan-4-yl)-trimethoxysilane?
The canonical SMILES for (2-chloro-2-methyldocosan-4-yl)-trimethoxysilane is CCCCCCCCCCCCCCCCCCC(CC(C)(C)Cl)[Si](OC)(OC)OC.
What is the InChIKey of (2-chloro-2-methyldocosan-4-yl)-trimethoxysilane?
The InChIKey is AKKYNMDLCMCKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55ClO3Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(24-26(2,3)27)31(28-4,29-5)30-6/h25H,7-24H2,1-6H3.
What are the key properties of (2-chloro-2-methyldocosan-4-yl)-trimethoxysilane?
(2-chloro-2-methyldocosan-4-yl)-trimethoxysilane has a molecular weight of 479.26 g/mol, XLogP of 9.29, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-2-methyldocosan-4-yl)-trimethoxysilane is sourced from PubChem (CID 162505004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).