heptan-2-yloxy-dimethyl-pentoxysilane

C14H32O2Si — CID 91730336

IUPACheptan-2-yloxy-dimethyl-pentoxysilane
SMILESCCCCCO[Si](C)(C)OC(C)CCCCC
InChIInChI=1S/C14H32O2Si/c1-6-8-10-12-14(3)16-17(4,5)15-13-11-9-7-2/h14H,6-13H2,1-5H3
InChIKeyZKLUHFKUBCWUCJ-UHFFFAOYSA-N
MW260.49 g/mol
LogP4.88
Rot. Bonds11

About heptan-2-yloxy-dimethyl-pentoxysilane

heptan-2-yloxy-dimethyl-pentoxysilane (PubChem CID 91730336) has the molecular formula C14H32O2Si and a molecular weight of 260.49 g/mol. Its IUPAC name is heptan-2-yloxy-dimethyl-pentoxysilane.

Molecular Properties

Compound Nameheptan-2-yloxy-dimethyl-pentoxysilane
PubChem CID91730336
Molecular FormulaC14H32O2Si
Molecular Weight260.49 g/mol
Exact Mass260.22
IUPAC Nameheptan-2-yloxy-dimethyl-pentoxysilane
SMILESCCCCCO[Si](C)(C)OC(C)CCCCC
InChIInChI=1S/C14H32O2Si/c1-6-8-10-12-14(3)16-17(4,5)15-13-11-9-7-2/h14H,6-13H2,1-5H3
InChIKeyZKLUHFKUBCWUCJ-UHFFFAOYSA-N
XLogP4.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.49
LogP ≤ 54.88
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

Silane, trimethyl[(1-methylheptyl)oxy]-
CID 519505
Dihexyloxydimethylsilane
CID 525745
Silane, (1,1-dimethylethyl)dimethyl[(1-methylhexyl)oxy]-
CID 6430228
Silane, (1,1-dimethylethyl)dimethyl[(1-methylheptyl)oxy]-
CID 6430238
Silane, dimethyloctyloxyoctyloxy-
CID 14228745
Silane, dimethyldecyloxydecyloxy-
CID 23342514
Silane, dimethyldi(2-octyloxy)-
CID 85708223
Diheptyloxydimethylsilane
CID 525743
2-nonanol, tBDMS
CID 6430237
Silane, dimethyldi(2-heptyloxy)-
CID 85694061
Silane, dimethyl(2-heptyloxy)propoxy-
CID 91723694
Silane, trimethyl(3-octyloxy)-
CID 552935

Frequently Asked Questions

What is the IUPAC name of heptan-2-yloxy-dimethyl-pentoxysilane?
The IUPAC name of heptan-2-yloxy-dimethyl-pentoxysilane (CID 91730336) is heptan-2-yloxy-dimethyl-pentoxysilane.
What is the SMILES notation for heptan-2-yloxy-dimethyl-pentoxysilane?
The canonical SMILES for heptan-2-yloxy-dimethyl-pentoxysilane is CCCCCO[Si](C)(C)OC(C)CCCCC.
What is the InChIKey of heptan-2-yloxy-dimethyl-pentoxysilane?
The InChIKey is ZKLUHFKUBCWUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O2Si/c1-6-8-10-12-14(3)16-17(4,5)15-13-11-9-7-2/h14H,6-13H2,1-5H3.
What are the key properties of heptan-2-yloxy-dimethyl-pentoxysilane?
heptan-2-yloxy-dimethyl-pentoxysilane has a molecular weight of 260.49 g/mol, XLogP of 4.88, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-2-yloxy-dimethyl-pentoxysilane is sourced from PubChem (CID 91730336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).