2,3-dimethylhexan-2-yl-dodecyl-diethoxysilane

C24H52O2Si — CID 139767582

IUPAC2,3-dimethylhexan-2-yl-dodecyl-diethoxysilane
SMILESCCCCCCCCCCCC[Si](OCC)(OCC)C(C)(C)C(C)CCC
InChIInChI=1S/C24H52O2Si/c1-8-12-13-14-15-16-17-18-19-20-22-27(25-10-3,26-11-4)24(6,7)23(5)21-9-2/h23H,8-22H2,1-7H3
InChIKeyPNGJYLWSXYMOTG-UHFFFAOYSA-N
MW400.76 g/mol
LogP8.64
Rot. Bonds19

About 2,3-dimethylhexan-2-yl-dodecyl-diethoxysilane

2,3-dimethylhexan-2-yl-dodecyl-diethoxysilane (PubChem CID 139767582) has the molecular formula C24H52O2Si and a molecular weight of 400.76 g/mol. Its IUPAC name is 2,3-dimethylhexan-2-yl-dodecyl-diethoxysilane.

Molecular Properties

Compound Name2,3-dimethylhexan-2-yl-dodecyl-diethoxysilane
PubChem CID139767582
Molecular FormulaC24H52O2Si
Molecular Weight400.76 g/mol
Exact Mass400.37
IUPAC Name2,3-dimethylhexan-2-yl-dodecyl-diethoxysilane
SMILESCCCCCCCCCCCC[Si](OCC)(OCC)C(C)(C)C(C)CCC
InChIInChI=1S/C24H52O2Si/c1-8-12-13-14-15-16-17-18-19-20-22-27(25-10-3,26-11-4)24(6,7)23(5)21-9-2/h23H,8-22H2,1-7H3
InChIKeyPNGJYLWSXYMOTG-UHFFFAOYSA-N
XLogP8.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.76
LogP ≤ 58.64
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

2,3-dimethylhexan-2-yl-dimethoxy-pentylsilane
CID 139767626
2,3-dimethylhexan-2-yl-diethoxy-(2-methylpropyl)silane
CID 139767648
tert-butyl-ethoxy-heptadecyl-methoxysilane
CID 18990695
tert-butyl-ethoxy-heptyl-methoxysilane
CID 18990691
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
hexadecyl-dimethoxy-(2,3,4-trimethylpentan-2-yl)silane
CID 139767546
diethoxy-octyl-pentadecan-2-yloxysilane
CID 150899900
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398
decyl-(3-ethyl-2,4-dimethylpentan-2-yl)-dimethoxysilane
CID 151840194

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylhexan-2-yl-dodecyl-diethoxysilane?
The IUPAC name of 2,3-dimethylhexan-2-yl-dodecyl-diethoxysilane (CID 139767582) is 2,3-dimethylhexan-2-yl-dodecyl-diethoxysilane.
What is the SMILES notation for 2,3-dimethylhexan-2-yl-dodecyl-diethoxysilane?
The canonical SMILES for 2,3-dimethylhexan-2-yl-dodecyl-diethoxysilane is CCCCCCCCCCCC[Si](OCC)(OCC)C(C)(C)C(C)CCC.
What is the InChIKey of 2,3-dimethylhexan-2-yl-dodecyl-diethoxysilane?
The InChIKey is PNGJYLWSXYMOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52O2Si/c1-8-12-13-14-15-16-17-18-19-20-22-27(25-10-3,26-11-4)24(6,7)23(5)21-9-2/h23H,8-22H2,1-7H3.
What are the key properties of 2,3-dimethylhexan-2-yl-dodecyl-diethoxysilane?
2,3-dimethylhexan-2-yl-dodecyl-diethoxysilane has a molecular weight of 400.76 g/mol, XLogP of 8.64, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylhexan-2-yl-dodecyl-diethoxysilane is sourced from PubChem (CID 139767582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).