heptan-2-yloxy-[heptan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane

C18H42O3Si2 — CID 91738349

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

About heptan-2-yloxy-[heptan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane

heptan-2-yloxy-[heptan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane (PubChem CID 91738349) has the molecular formula C18H42O3Si2 and a molecular weight of 362.70 g/mol. Its IUPAC name is heptan-2-yloxy-[heptan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane.

Molecular Properties

Compound Nameheptan-2-yloxy-[heptan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane
PubChem CID91738349
Molecular FormulaC18H42O3Si2
Molecular Weight362.70 g/mol
Exact Mass362.27
IUPAC Nameheptan-2-yloxy-[heptan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane
SMILESCCCCCC(C)O[Si](C)(C)O[Si](C)(C)OC(C)CCCCC
InChIInChI=1S/C18H42O3Si2/c1-9-11-13-15-17(3)19-22(5,6)21-23(7,8)20-18(4)16-14-12-10-2/h17-18H,9-16H2,1-8H3
InChIKeyFAJPXCNUNVFLDF-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze heptan-2-yloxy-[heptan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Silane, dimethyloctyloxyoctyloxy-
CID 14228745
Silane, dimethyldecyloxydecyloxy-
CID 23342514
Silane, dimethyldi(2-octyloxy)-
CID 85708223
Diheptyloxydimethylsilane
CID 525743
Silane, dimethyldi(2-heptyloxy)-
CID 85694061
Silane, dimethyl(2-heptyloxy)propoxy-
CID 91723694
Silane, trimethyl(3-octyloxy)-
CID 552935
Dihexyloxydiethylsilane
CID 525744
Cyclododecanol, TMS
CID 526025
Silane, trimethyl[(1-methylhexyl)oxy]-
CID 575935
Silane, dimethylpentyloxyheptyloxy-
CID 20677379
bis(Dodecyloxy)(dimethyl)silane
CID 20716717

Frequently Asked Questions

What is the IUPAC name of heptan-2-yloxy-[heptan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane?
The IUPAC name of heptan-2-yloxy-[heptan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane (CID 91738349) is heptan-2-yloxy-[heptan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane.
What is the SMILES notation for heptan-2-yloxy-[heptan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane?
The canonical SMILES for heptan-2-yloxy-[heptan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane is CCCCCC(C)O[Si](C)(C)O[Si](C)(C)OC(C)CCCCC.
What is the InChIKey of heptan-2-yloxy-[heptan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane?
The InChIKey is FAJPXCNUNVFLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42O3Si2/c1-9-11-13-15-17(3)19-22(5,6)21-23(7,8)20-18(4)16-14-12-10-2/h17-18H,9-16H2,1-8H3.
What are the key properties of heptan-2-yloxy-[heptan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane?
heptan-2-yloxy-[heptan-2-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-2-yloxy-[heptan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane is sourced from PubChem (CID 91738349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).