butoxy-(2-methyl-3-propan-2-ylhexan-3-yl)oxy-propylsilane

C17H38O2Si — CID 150904501

IUPACbutoxy-(2-methyl-3-propan-2-ylhexan-3-yl)oxy-propylsilane
SMILESCCCCO[SiH](CCC)OC(CCC)(C(C)C)C(C)C
InChIInChI=1S/C17H38O2Si/c1-8-11-13-18-20(14-10-3)19-17(12-9-2,15(4)5)16(6)7/h15-16,20H,8-14H2,1-7H3
InChIKeyLARNWJJNIVHQSW-UHFFFAOYSA-N
MW302.58 g/mol
LogP5.30
Rot. Bonds12

About butoxy-(2-methyl-3-propan-2-ylhexan-3-yl)oxy-propylsilane

butoxy-(2-methyl-3-propan-2-ylhexan-3-yl)oxy-propylsilane (PubChem CID 150904501) has the molecular formula C17H38O2Si and a molecular weight of 302.58 g/mol. Its IUPAC name is butoxy-(2-methyl-3-propan-2-ylhexan-3-yl)oxy-propylsilane.

Molecular Properties

Compound Namebutoxy-(2-methyl-3-propan-2-ylhexan-3-yl)oxy-propylsilane
PubChem CID150904501
Molecular FormulaC17H38O2Si
Molecular Weight302.58 g/mol
Exact Mass302.26
IUPAC Namebutoxy-(2-methyl-3-propan-2-ylhexan-3-yl)oxy-propylsilane
SMILESCCCCO[SiH](CCC)OC(CCC)(C(C)C)C(C)C
InChIInChI=1S/C17H38O2Si/c1-8-11-13-18-20(14-10-3)19-17(12-9-2,15(4)5)16(6)7/h15-16,20H,8-14H2,1-7H3
InChIKeyLARNWJJNIVHQSW-UHFFFAOYSA-N
XLogP5.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.58
LogP ≤ 55.30
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-(2-methyl-3-propan-2-ylhexan-3-yl)oxy-propylsilane?
The IUPAC name of butoxy-(2-methyl-3-propan-2-ylhexan-3-yl)oxy-propylsilane (CID 150904501) is butoxy-(2-methyl-3-propan-2-ylhexan-3-yl)oxy-propylsilane.
What is the SMILES notation for butoxy-(2-methyl-3-propan-2-ylhexan-3-yl)oxy-propylsilane?
The canonical SMILES for butoxy-(2-methyl-3-propan-2-ylhexan-3-yl)oxy-propylsilane is CCCCO[SiH](CCC)OC(CCC)(C(C)C)C(C)C.
What is the InChIKey of butoxy-(2-methyl-3-propan-2-ylhexan-3-yl)oxy-propylsilane?
The InChIKey is LARNWJJNIVHQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O2Si/c1-8-11-13-18-20(14-10-3)19-17(12-9-2,15(4)5)16(6)7/h15-16,20H,8-14H2,1-7H3.
What are the key properties of butoxy-(2-methyl-3-propan-2-ylhexan-3-yl)oxy-propylsilane?
butoxy-(2-methyl-3-propan-2-ylhexan-3-yl)oxy-propylsilane has a molecular weight of 302.58 g/mol, XLogP of 5.30, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-(2-methyl-3-propan-2-ylhexan-3-yl)oxy-propylsilane is sourced from PubChem (CID 150904501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).