hexadecyl-dimethoxy-(2,3,4-trimethylpentan-2-yl)silane

C26H56O2Si — CID 139767546

IUPAChexadecyl-dimethoxy-(2,3,4-trimethylpentan-2-yl)silane
SMILESCCCCCCCCCCCCCCCC[Si](OC)(OC)C(C)(C)C(C)C(C)C
InChIInChI=1S/C26H56O2Si/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(27-7,28-8)26(5,6)25(4)24(2)3/h24-25H,9-23H2,1-8H3
InChIKeySVMGOOAUUUBWTM-UHFFFAOYSA-N
MW428.82 g/mol
LogP9.27
Rot. Bonds20

About hexadecyl-dimethoxy-(2,3,4-trimethylpentan-2-yl)silane

hexadecyl-dimethoxy-(2,3,4-trimethylpentan-2-yl)silane (PubChem CID 139767546) has the molecular formula C26H56O2Si and a molecular weight of 428.82 g/mol. Its IUPAC name is hexadecyl-dimethoxy-(2,3,4-trimethylpentan-2-yl)silane.

Molecular Properties

Compound Namehexadecyl-dimethoxy-(2,3,4-trimethylpentan-2-yl)silane
PubChem CID139767546
Molecular FormulaC26H56O2Si
Molecular Weight428.82 g/mol
Exact Mass428.40
IUPAC Namehexadecyl-dimethoxy-(2,3,4-trimethylpentan-2-yl)silane
SMILESCCCCCCCCCCCCCCCC[Si](OC)(OC)C(C)(C)C(C)C(C)C
InChIInChI=1S/C26H56O2Si/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(27-7,28-8)26(5,6)25(4)24(2)3/h24-25H,9-23H2,1-8H3
InChIKeySVMGOOAUUUBWTM-UHFFFAOYSA-N
XLogP9.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.82
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dimethoxy-propyl-(2,3,4-trimethylpentan-2-yl)silane
CID 139767643
decyl-(3-ethyl-2,4-dimethylpentan-2-yl)-dimethoxysilane
CID 151840194
2,3-dimethylhexan-2-yl-dimethoxy-pentylsilane
CID 139767626
tert-butyl-dimethoxy-tridecylsilane
CID 18990666
tert-butyl-ethoxy-heptyl-methoxysilane
CID 18990691
tert-butyl-ethoxy-heptadecyl-methoxysilane
CID 18990695
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
hexacosyl(trimethoxy)silane
CID 150262252
trimethoxy(pentacontyl)silane
CID 87930715
dodecyl(trimethoxy)silane;octane
CID 174570785
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
dodecyl(trimethoxy)silane;λ2-plumbane
CID 175120013

Frequently Asked Questions

What is the IUPAC name of hexadecyl-dimethoxy-(2,3,4-trimethylpentan-2-yl)silane?
The IUPAC name of hexadecyl-dimethoxy-(2,3,4-trimethylpentan-2-yl)silane (CID 139767546) is hexadecyl-dimethoxy-(2,3,4-trimethylpentan-2-yl)silane.
What is the SMILES notation for hexadecyl-dimethoxy-(2,3,4-trimethylpentan-2-yl)silane?
The canonical SMILES for hexadecyl-dimethoxy-(2,3,4-trimethylpentan-2-yl)silane is CCCCCCCCCCCCCCCC[Si](OC)(OC)C(C)(C)C(C)C(C)C.
What is the InChIKey of hexadecyl-dimethoxy-(2,3,4-trimethylpentan-2-yl)silane?
The InChIKey is SVMGOOAUUUBWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56O2Si/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(27-7,28-8)26(5,6)25(4)24(2)3/h24-25H,9-23H2,1-8H3.
What are the key properties of hexadecyl-dimethoxy-(2,3,4-trimethylpentan-2-yl)silane?
hexadecyl-dimethoxy-(2,3,4-trimethylpentan-2-yl)silane has a molecular weight of 428.82 g/mol, XLogP of 9.27, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl-dimethoxy-(2,3,4-trimethylpentan-2-yl)silane is sourced from PubChem (CID 139767546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).