heptan-3-yloxy-[heptan-3-yloxy(dimethyl)silyl]oxy-dimethylsilane

C18H42O3Si2 — CID 91720804

IUPACheptan-3-yloxy-[heptan-3-yloxy(dimethyl)silyl]oxy-dimethylsilane
SMILESCCCCC(CC)O[Si](C)(C)O[Si](C)(C)OC(CC)CCCC
InChIInChI=1S/C18H42O3Si2/c1-9-13-15-17(11-3)19-22(5,6)21-23(7,8)20-18(12-4)16-14-10-2/h17-18H,9-16H2,1-8H3
InChIKeyPBIZORFTNQXLJF-UHFFFAOYSA-N
MW362.70 g/mol
LogP6.38
Rot. Bonds14

About heptan-3-yloxy-[heptan-3-yloxy(dimethyl)silyl]oxy-dimethylsilane

heptan-3-yloxy-[heptan-3-yloxy(dimethyl)silyl]oxy-dimethylsilane (PubChem CID 91720804) has the molecular formula C18H42O3Si2 and a molecular weight of 362.70 g/mol. Its IUPAC name is heptan-3-yloxy-[heptan-3-yloxy(dimethyl)silyl]oxy-dimethylsilane.

Molecular Properties

Compound Nameheptan-3-yloxy-[heptan-3-yloxy(dimethyl)silyl]oxy-dimethylsilane
PubChem CID91720804
Molecular FormulaC18H42O3Si2
Molecular Weight362.70 g/mol
Exact Mass362.27
IUPAC Nameheptan-3-yloxy-[heptan-3-yloxy(dimethyl)silyl]oxy-dimethylsilane
SMILESCCCCC(CC)O[Si](C)(C)O[Si](C)(C)OC(CC)CCCC
InChIInChI=1S/C18H42O3Si2/c1-9-13-15-17(11-3)19-22(5,6)21-23(7,8)20-18(12-4)16-14-10-2/h17-18H,9-16H2,1-8H3
InChIKeyPBIZORFTNQXLJF-UHFFFAOYSA-N
XLogP6.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.70
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Silane, dimethyldi(2-octyloxy)-
CID 85708223
Diheptyloxydimethylsilane
CID 525743
Silane, dimethyldi(2-heptyloxy)-
CID 85694061
Silane, dimethyl(2-heptyloxy)propoxy-
CID 91723694
Silane, dimethyl(dimethyloctyloxysilyloxy)octyloxy-
CID 91744223
Silane, dimethyl(dimethyldecyloxysilyloxy)decyloxy-
CID 91745235
3,14-Dioxa-2,15-disilahexadecane, 2,2,15,15-tetramethyl-
CID 558272
6-Dimethyl(trimethylsilyl)silyloxytetradecane
CID 590061
3-Dimethylsilyloxypentadecane
CID 6328887
5,5,11,11-Tetrabutyl-7,9-dimethyl-6,10-dioxa-5,11-disilapentadecane
CID 71380604
3,11-Dioxa-2,12-disilatridecane, 2,2,12,12-tetramethyl-
CID 143176
7-Trimethylsilyloxytetradecane
CID 518579

Frequently Asked Questions

What is the IUPAC name of heptan-3-yloxy-[heptan-3-yloxy(dimethyl)silyl]oxy-dimethylsilane?
The IUPAC name of heptan-3-yloxy-[heptan-3-yloxy(dimethyl)silyl]oxy-dimethylsilane (CID 91720804) is heptan-3-yloxy-[heptan-3-yloxy(dimethyl)silyl]oxy-dimethylsilane.
What is the SMILES notation for heptan-3-yloxy-[heptan-3-yloxy(dimethyl)silyl]oxy-dimethylsilane?
The canonical SMILES for heptan-3-yloxy-[heptan-3-yloxy(dimethyl)silyl]oxy-dimethylsilane is CCCCC(CC)O[Si](C)(C)O[Si](C)(C)OC(CC)CCCC.
What is the InChIKey of heptan-3-yloxy-[heptan-3-yloxy(dimethyl)silyl]oxy-dimethylsilane?
The InChIKey is PBIZORFTNQXLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42O3Si2/c1-9-13-15-17(11-3)19-22(5,6)21-23(7,8)20-18(12-4)16-14-10-2/h17-18H,9-16H2,1-8H3.
What are the key properties of heptan-3-yloxy-[heptan-3-yloxy(dimethyl)silyl]oxy-dimethylsilane?
heptan-3-yloxy-[heptan-3-yloxy(dimethyl)silyl]oxy-dimethylsilane has a molecular weight of 362.70 g/mol, XLogP of 6.38, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-3-yloxy-[heptan-3-yloxy(dimethyl)silyl]oxy-dimethylsilane is sourced from PubChem (CID 91720804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).