heptan-4-yloxy-[heptan-4-yloxy(dimethyl)silyl]oxy-dimethylsilane

C18H42O3Si2 — CID 91720802

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

About heptan-4-yloxy-[heptan-4-yloxy(dimethyl)silyl]oxy-dimethylsilane

heptan-4-yloxy-[heptan-4-yloxy(dimethyl)silyl]oxy-dimethylsilane (PubChem CID 91720802) has the molecular formula C18H42O3Si2 and a molecular weight of 362.70 g/mol. Its IUPAC name is heptan-4-yloxy-[heptan-4-yloxy(dimethyl)silyl]oxy-dimethylsilane.

Molecular Properties

Compound Nameheptan-4-yloxy-[heptan-4-yloxy(dimethyl)silyl]oxy-dimethylsilane
PubChem CID91720802
Molecular FormulaC18H42O3Si2
Molecular Weight362.70 g/mol
Exact Mass362.27
IUPAC Nameheptan-4-yloxy-[heptan-4-yloxy(dimethyl)silyl]oxy-dimethylsilane
SMILESCCCC(CCC)O[Si](C)(C)O[Si](C)(C)OC(CCC)CCC
InChIInChI=1S/C18H42O3Si2/c1-9-13-17(14-10-2)19-22(5,6)21-23(7,8)20-18(15-11-3)16-12-4/h17-18H,9-16H2,1-8H3
InChIKeyPYVBIAAVXQGTHS-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'}

Analyze heptan-4-yloxy-[heptan-4-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, dimethyldi(2-octyloxy)-
CID 85708223
Silane, dimethyldi(2-heptyloxy)-
CID 85694061
5,5,11,11-Tetrabutyl-7,9-dimethyl-6,10-dioxa-5,11-disilapentadecane
CID 71380604
1,2-Heptadecanediol, di-TMS
CID 528978
Silane, dimethyl(dimethyl(2-hexyloxy)silyloxy)hexyloxy-
CID 54770327
Silane, dimethyl(3-heptyloxy)propoxy-
CID 91709967
Silane, diethyl(4-octyloxy)propoxy-
CID 91714757
Silane, diethylbutoxy(3-heptyloxy)-
CID 91719426
Silane, diethylbutoxy(4-octyloxy)-
CID 91719427
Silane, dimethyl(2-pentyloxy)(dimethyl(2-pentyloxy)silyloxy)-
CID 91720749
Silane, dimethyl(dimethyl(2-hexyloxy)silyloxy)(2-hexyloxy)-
CID 91720775
1,3-bis[(1-Ethylpentyl)oxy]-1,1,3,3-tetramethyldisiloxane
CID 91720804

Frequently Asked Questions

What is the IUPAC name of heptan-4-yloxy-[heptan-4-yloxy(dimethyl)silyl]oxy-dimethylsilane?
The IUPAC name of heptan-4-yloxy-[heptan-4-yloxy(dimethyl)silyl]oxy-dimethylsilane (CID 91720802) is heptan-4-yloxy-[heptan-4-yloxy(dimethyl)silyl]oxy-dimethylsilane.
What is the SMILES notation for heptan-4-yloxy-[heptan-4-yloxy(dimethyl)silyl]oxy-dimethylsilane?
The canonical SMILES for heptan-4-yloxy-[heptan-4-yloxy(dimethyl)silyl]oxy-dimethylsilane is CCCC(CCC)O[Si](C)(C)O[Si](C)(C)OC(CCC)CCC.
What is the InChIKey of heptan-4-yloxy-[heptan-4-yloxy(dimethyl)silyl]oxy-dimethylsilane?
The InChIKey is PYVBIAAVXQGTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42O3Si2/c1-9-13-17(14-10-2)19-22(5,6)21-23(7,8)20-18(15-11-3)16-12-4/h17-18H,9-16H2,1-8H3.
What are the key properties of heptan-4-yloxy-[heptan-4-yloxy(dimethyl)silyl]oxy-dimethylsilane?
heptan-4-yloxy-[heptan-4-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-4-yloxy-[heptan-4-yloxy(dimethyl)silyl]oxy-dimethylsilane is sourced from PubChem (CID 91720802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).