butoxy-heptan-2-yloxy-dimethylsilane

C13H30O2Si — CID 91726708

IUPACbutoxy-heptan-2-yloxy-dimethylsilane
SMILESCCCCCC(C)O[Si](C)(C)OCCCC
InChIInChI=1S/C13H30O2Si/c1-6-8-10-11-13(3)15-16(4,5)14-12-9-7-2/h13H,6-12H2,1-5H3
InChIKeyNUPWXLMIICPDHM-UHFFFAOYSA-N
MW246.47 g/mol
LogP4.49
Rot. Bonds10

About butoxy-heptan-2-yloxy-dimethylsilane

butoxy-heptan-2-yloxy-dimethylsilane (PubChem CID 91726708) has the molecular formula C13H30O2Si and a molecular weight of 246.47 g/mol. Its IUPAC name is butoxy-heptan-2-yloxy-dimethylsilane.

Molecular Properties

Compound Namebutoxy-heptan-2-yloxy-dimethylsilane
PubChem CID91726708
Molecular FormulaC13H30O2Si
Molecular Weight246.47 g/mol
Exact Mass246.20
IUPAC Namebutoxy-heptan-2-yloxy-dimethylsilane
SMILESCCCCCC(C)O[Si](C)(C)OCCCC
InChIInChI=1S/C13H30O2Si/c1-6-8-10-11-13(3)15-16(4,5)14-12-9-7-2/h13H,6-12H2,1-5H3
InChIKeyNUPWXLMIICPDHM-UHFFFAOYSA-N
XLogP4.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.47
LogP ≤ 54.49
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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Related Compounds

(Cyclohexyloxy)trimethylsilane
CID 262864
(Hexyloxy)trimethylsilane
CID 519489
Silane, trimethyl[(1-methylheptyl)oxy]-
CID 519505
Silane, (heptyloxy)trimethyl-
CID 519521
Dihexyloxydimethylsilane
CID 525745
Silane, (1,1-dimethylethyl)dimethyl[(1-methylhexyl)oxy]-
CID 6430228
Silane, dimethyldi(2-octyloxy)-
CID 85708223
Silane, dimethyldi(2-heptyloxy)-
CID 85694061
Dimethyl-di-2-pentoxysilane
CID 85844809
Silane, dimethyl(2-heptyloxy)propoxy-
CID 91723694
Silane, trimethyl(3-octyloxy)-
CID 552935
Dimethylsilyloxycyclohexane
CID 6329285

Frequently Asked Questions

What is the IUPAC name of butoxy-heptan-2-yloxy-dimethylsilane?
The IUPAC name of butoxy-heptan-2-yloxy-dimethylsilane (CID 91726708) is butoxy-heptan-2-yloxy-dimethylsilane.
What is the SMILES notation for butoxy-heptan-2-yloxy-dimethylsilane?
The canonical SMILES for butoxy-heptan-2-yloxy-dimethylsilane is CCCCCC(C)O[Si](C)(C)OCCCC.
What is the InChIKey of butoxy-heptan-2-yloxy-dimethylsilane?
The InChIKey is NUPWXLMIICPDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O2Si/c1-6-8-10-11-13(3)15-16(4,5)14-12-9-7-2/h13H,6-12H2,1-5H3.
What are the key properties of butoxy-heptan-2-yloxy-dimethylsilane?
butoxy-heptan-2-yloxy-dimethylsilane has a molecular weight of 246.47 g/mol, XLogP of 4.49, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-heptan-2-yloxy-dimethylsilane is sourced from PubChem (CID 91726708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).