heptan-2-yloxy-hexoxy-dimethylsilane

C15H34O2Si — CID 91733307

IUPACheptan-2-yloxy-hexoxy-dimethylsilane
SMILESCCCCCCO[Si](C)(C)OC(C)CCCCC
InChIInChI=1S/C15H34O2Si/c1-6-8-10-12-14-16-18(4,5)17-15(3)13-11-9-7-2/h15H,6-14H2,1-5H3
InChIKeyLDXMKWZMLGPLRS-UHFFFAOYSA-N
MW274.52 g/mol
LogP5.27
Rot. Bonds12

About heptan-2-yloxy-hexoxy-dimethylsilane

heptan-2-yloxy-hexoxy-dimethylsilane (PubChem CID 91733307) has the molecular formula C15H34O2Si and a molecular weight of 274.52 g/mol. Its IUPAC name is heptan-2-yloxy-hexoxy-dimethylsilane.

Molecular Properties

Compound Nameheptan-2-yloxy-hexoxy-dimethylsilane
PubChem CID91733307
Molecular FormulaC15H34O2Si
Molecular Weight274.52 g/mol
Exact Mass274.23
IUPAC Nameheptan-2-yloxy-hexoxy-dimethylsilane
SMILESCCCCCCO[Si](C)(C)OC(C)CCCCC
InChIInChI=1S/C15H34O2Si/c1-6-8-10-12-14-16-18(4,5)17-15(3)13-11-9-7-2/h15H,6-14H2,1-5H3
InChIKeyLDXMKWZMLGPLRS-UHFFFAOYSA-N
XLogP5.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.52
LogP ≤ 55.27
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-hexoxy-dimethylsilane?
The IUPAC name of heptan-2-yloxy-hexoxy-dimethylsilane (CID 91733307) is heptan-2-yloxy-hexoxy-dimethylsilane.
What is the SMILES notation for heptan-2-yloxy-hexoxy-dimethylsilane?
The canonical SMILES for heptan-2-yloxy-hexoxy-dimethylsilane is CCCCCCO[Si](C)(C)OC(C)CCCCC.
What is the InChIKey of heptan-2-yloxy-hexoxy-dimethylsilane?
The InChIKey is LDXMKWZMLGPLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34O2Si/c1-6-8-10-12-14-16-18(4,5)17-15(3)13-11-9-7-2/h15H,6-14H2,1-5H3.
What are the key properties of heptan-2-yloxy-hexoxy-dimethylsilane?
heptan-2-yloxy-hexoxy-dimethylsilane has a molecular weight of 274.52 g/mol, XLogP of 5.27, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-2-yloxy-hexoxy-dimethylsilane is sourced from PubChem (CID 91733307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).