heptan-4-yloxy(6-heptan-4-yloxysilylhexyl)silane

C20H46O2Si2 — CID 123472134

IUPACheptan-4-yloxy(6-heptan-4-yloxysilylhexyl)silane
SMILESCCCC(CCC)O[SiH2]CCCCCC[SiH2]OC(CCC)CCC
InChIInChI=1S/C20H46O2Si2/c1-5-13-19(14-6-2)21-23-17-11-9-10-12-18-24-22-20(15-7-3)16-8-4/h19-20H,5-18,23-24H2,1-4H3
InChIKeyZAUBCUXBGSVDKM-UHFFFAOYSA-N
MW374.76 g/mol
LogP5.52
Rot. Bonds19

About heptan-4-yloxy(6-heptan-4-yloxysilylhexyl)silane

heptan-4-yloxy(6-heptan-4-yloxysilylhexyl)silane (PubChem CID 123472134) has the molecular formula C20H46O2Si2 and a molecular weight of 374.76 g/mol. Its IUPAC name is heptan-4-yloxy(6-heptan-4-yloxysilylhexyl)silane.

Molecular Properties

Compound Nameheptan-4-yloxy(6-heptan-4-yloxysilylhexyl)silane
PubChem CID123472134
Molecular FormulaC20H46O2Si2
Molecular Weight374.76 g/mol
Exact Mass374.30
IUPAC Nameheptan-4-yloxy(6-heptan-4-yloxysilylhexyl)silane
SMILESCCCC(CCC)O[SiH2]CCCCCC[SiH2]OC(CCC)CCC
InChIInChI=1S/C20H46O2Si2/c1-5-13-19(14-6-2)21-23-17-11-9-10-12-18-24-22-20(15-7-3)16-8-4/h19-20H,5-18,23-24H2,1-4H3
InChIKeyZAUBCUXBGSVDKM-UHFFFAOYSA-N
XLogP5.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.76
LogP ≤ 55.52
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'}

Analyze heptan-4-yloxy(6-heptan-4-yloxysilylhexyl)silane 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

heptan-4-yloxy(hexadecyl)silane
CID 123750148
nonan-5-yloxy(4-nonan-5-yloxysilylbutyl)silane
CID 123259328
hexan-3-yloxy(4-hexan-3-yloxysilylbutyl)silane
CID 123700274
decan-4-yloxy(3-decan-4-yloxysilylpropyl)silane
CID 123836653
nonan-4-yloxy(3-nonan-4-yloxysilylpropyl)silane
CID 123647255
5-hexan-3-yloxysilylpentan-1-amine
CID 123592667
octan-3-yloxy(4-octan-3-yloxysilylbutyl)silane
CID 123952140
heptan-4-yloxy(2-methylpropyl)silane
CID 123412340
octan-3-yloxy(3-octan-3-yloxysilylpropyl)silane
CID 123694171
dichloromethoxy(hexyl)silane
CID 150153887
heptan-4-yloxy(prop-2-enyl)silane
CID 173175182
octyl(octylsilyloxy)silane
CID 151438773

Frequently Asked Questions

What is the IUPAC name of heptan-4-yloxy(6-heptan-4-yloxysilylhexyl)silane?
The IUPAC name of heptan-4-yloxy(6-heptan-4-yloxysilylhexyl)silane (CID 123472134) is heptan-4-yloxy(6-heptan-4-yloxysilylhexyl)silane.
What is the SMILES notation for heptan-4-yloxy(6-heptan-4-yloxysilylhexyl)silane?
The canonical SMILES for heptan-4-yloxy(6-heptan-4-yloxysilylhexyl)silane is CCCC(CCC)O[SiH2]CCCCCC[SiH2]OC(CCC)CCC.
What is the InChIKey of heptan-4-yloxy(6-heptan-4-yloxysilylhexyl)silane?
The InChIKey is ZAUBCUXBGSVDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46O2Si2/c1-5-13-19(14-6-2)21-23-17-11-9-10-12-18-24-22-20(15-7-3)16-8-4/h19-20H,5-18,23-24H2,1-4H3.
What are the key properties of heptan-4-yloxy(6-heptan-4-yloxysilylhexyl)silane?
heptan-4-yloxy(6-heptan-4-yloxysilylhexyl)silane has a molecular weight of 374.76 g/mol, XLogP of 5.52, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-4-yloxy(6-heptan-4-yloxysilylhexyl)silane is sourced from PubChem (CID 123472134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).