butoxy-dibutyl-(3,5-dimethyl-4-propylheptan-4-yl)oxysilane

C24H52O2Si — CID 87183103

IUPACbutoxy-dibutyl-(3,5-dimethyl-4-propylheptan-4-yl)oxysilane
SMILESCCCCO[Si](CCCC)(CCCC)OC(CCC)(C(C)CC)C(C)CC
InChIInChI=1S/C24H52O2Si/c1-9-15-19-25-27(20-16-10-2,21-17-11-3)26-24(18-12-4,22(7)13-5)23(8)14-6/h22-23H,9-21H2,1-8H3
InChIKeyYZAPAHUGETWIEP-UHFFFAOYSA-N
MW400.76 g/mol
LogP8.49
Rot. Bonds18

About butoxy-dibutyl-(3,5-dimethyl-4-propylheptan-4-yl)oxysilane

butoxy-dibutyl-(3,5-dimethyl-4-propylheptan-4-yl)oxysilane (PubChem CID 87183103) has the molecular formula C24H52O2Si and a molecular weight of 400.76 g/mol. Its IUPAC name is butoxy-dibutyl-(3,5-dimethyl-4-propylheptan-4-yl)oxysilane.

Molecular Properties

Compound Namebutoxy-dibutyl-(3,5-dimethyl-4-propylheptan-4-yl)oxysilane
PubChem CID87183103
Molecular FormulaC24H52O2Si
Molecular Weight400.76 g/mol
Exact Mass400.37
IUPAC Namebutoxy-dibutyl-(3,5-dimethyl-4-propylheptan-4-yl)oxysilane
SMILESCCCCO[Si](CCCC)(CCCC)OC(CCC)(C(C)CC)C(C)CC
InChIInChI=1S/C24H52O2Si/c1-9-15-19-25-27(20-16-10-2,21-17-11-3)26-24(18-12-4,22(7)13-5)23(8)14-6/h22-23H,9-21H2,1-8H3
InChIKeyYZAPAHUGETWIEP-UHFFFAOYSA-N
XLogP8.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.76
LogP ≤ 58.49
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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Frequently Asked Questions

What is the IUPAC name of butoxy-dibutyl-(3,5-dimethyl-4-propylheptan-4-yl)oxysilane?
The IUPAC name of butoxy-dibutyl-(3,5-dimethyl-4-propylheptan-4-yl)oxysilane (CID 87183103) is butoxy-dibutyl-(3,5-dimethyl-4-propylheptan-4-yl)oxysilane.
What is the SMILES notation for butoxy-dibutyl-(3,5-dimethyl-4-propylheptan-4-yl)oxysilane?
The canonical SMILES for butoxy-dibutyl-(3,5-dimethyl-4-propylheptan-4-yl)oxysilane is CCCCO[Si](CCCC)(CCCC)OC(CCC)(C(C)CC)C(C)CC.
What is the InChIKey of butoxy-dibutyl-(3,5-dimethyl-4-propylheptan-4-yl)oxysilane?
The InChIKey is YZAPAHUGETWIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52O2Si/c1-9-15-19-25-27(20-16-10-2,21-17-11-3)26-24(18-12-4,22(7)13-5)23(8)14-6/h22-23H,9-21H2,1-8H3.
What are the key properties of butoxy-dibutyl-(3,5-dimethyl-4-propylheptan-4-yl)oxysilane?
butoxy-dibutyl-(3,5-dimethyl-4-propylheptan-4-yl)oxysilane has a molecular weight of 400.76 g/mol, XLogP of 8.49, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-dibutyl-(3,5-dimethyl-4-propylheptan-4-yl)oxysilane is sourced from PubChem (CID 87183103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).