(2-butoxy-3-hexadecoxypropoxy)-tert-butyl-dimethylsilane

C29H62O3Si — CID 88562055

IUPAC(2-butoxy-3-hexadecoxypropoxy)-tert-butyl-dimethylsilane
SMILESCCCCCCCCCCCCCCCCOCC(CO[Si](C)(C)C(C)(C)C)OCCCC
InChIInChI=1S/C29H62O3Si/c1-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-30-26-28(31-25-11-9-2)27-32-33(6,7)29(3,4)5/h28H,8-27H2,1-7H3
InChIKeyJHXGQNXBSRGTPP-UHFFFAOYSA-N
MW486.90 g/mol
LogP9.69
Rot. Bonds24

About (2-butoxy-3-hexadecoxypropoxy)-tert-butyl-dimethylsilane

(2-butoxy-3-hexadecoxypropoxy)-tert-butyl-dimethylsilane (PubChem CID 88562055) has the molecular formula C29H62O3Si and a molecular weight of 486.90 g/mol. Its IUPAC name is (2-butoxy-3-hexadecoxypropoxy)-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(2-butoxy-3-hexadecoxypropoxy)-tert-butyl-dimethylsilane
PubChem CID88562055
Molecular FormulaC29H62O3Si
Molecular Weight486.90 g/mol
Exact Mass486.45
IUPAC Name(2-butoxy-3-hexadecoxypropoxy)-tert-butyl-dimethylsilane
SMILESCCCCCCCCCCCCCCCCOCC(CO[Si](C)(C)C(C)(C)C)OCCCC
InChIInChI=1S/C29H62O3Si/c1-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-30-26-28(31-25-11-9-2)27-32-33(6,7)29(3,4)5/h28H,8-27H2,1-7H3
InChIKeyJHXGQNXBSRGTPP-UHFFFAOYSA-N
XLogP9.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.90
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-butoxy-3-hexadecoxypropoxy)-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-butoxy-3-hexadecoxypropoxy)-tert-butyl-dimethylsilane?
The IUPAC name of (2-butoxy-3-hexadecoxypropoxy)-tert-butyl-dimethylsilane (CID 88562055) is (2-butoxy-3-hexadecoxypropoxy)-tert-butyl-dimethylsilane.
What is the SMILES notation for (2-butoxy-3-hexadecoxypropoxy)-tert-butyl-dimethylsilane?
The canonical SMILES for (2-butoxy-3-hexadecoxypropoxy)-tert-butyl-dimethylsilane is CCCCCCCCCCCCCCCCOCC(CO[Si](C)(C)C(C)(C)C)OCCCC.
What is the InChIKey of (2-butoxy-3-hexadecoxypropoxy)-tert-butyl-dimethylsilane?
The InChIKey is JHXGQNXBSRGTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H62O3Si/c1-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-30-26-28(31-25-11-9-2)27-32-33(6,7)29(3,4)5/h28H,8-27H2,1-7H3.
What are the key properties of (2-butoxy-3-hexadecoxypropoxy)-tert-butyl-dimethylsilane?
(2-butoxy-3-hexadecoxypropoxy)-tert-butyl-dimethylsilane has a molecular weight of 486.90 g/mol, XLogP of 9.69, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butoxy-3-hexadecoxypropoxy)-tert-butyl-dimethylsilane is sourced from PubChem (CID 88562055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).