chloro(heptan-4-yloxy)silane

C7H17ClOSi — CID 123935264

IUPACchloro(heptan-4-yloxy)silane
SMILESCCCC(CCC)O[SiH2]Cl
InChIInChI=1S/C7H17ClOSi/c1-3-5-7(6-4-2)9-10-8/h7H,3-6,10H2,1-2H3
InChIKeyDZDQXYPMSUIAJV-UHFFFAOYSA-N
MW180.75 g/mol
LogP2.21
Rot. Bonds6

About chloro(heptan-4-yloxy)silane

chloro(heptan-4-yloxy)silane (PubChem CID 123935264) has the molecular formula C7H17ClOSi and a molecular weight of 180.75 g/mol. Its IUPAC name is chloro(heptan-4-yloxy)silane.

Molecular Properties

Compound Namechloro(heptan-4-yloxy)silane
PubChem CID123935264
Molecular FormulaC7H17ClOSi
Molecular Weight180.75 g/mol
Exact Mass180.07
IUPAC Namechloro(heptan-4-yloxy)silane
SMILESCCCC(CCC)O[SiH2]Cl
InChIInChI=1S/C7H17ClOSi/c1-3-5-7(6-4-2)9-10-8/h7H,3-6,10H2,1-2H3
InChIKeyDZDQXYPMSUIAJV-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.75
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Chloro(decan-5-yloxy)silane
CID 123158871
Heptan-2-yloxysilane
CID 123184432
Chloro(hexan-3-yloxy)silane
CID 123199629
Chloro(nonan-5-yloxy)silane
CID 123416866
Heptan-4-yloxysilane
CID 123417716
Chloro(undecan-6-yloxy)silane
CID 123735442
Chloro(octan-4-yloxy)silane
CID 123878209
Hexan-3-yloxysilane
CID 123896818
Heptan-3-yloxysilane
CID 123946710
Hexan-2-yloxysilane
CID 123994311
Heptan-4-yloxy(dimethoxy)silane
CID 154083848
Heptan-4-yloxy-methoxy-propan-2-yloxysilane
CID 172755078

Frequently Asked Questions

What is the IUPAC name of chloro(heptan-4-yloxy)silane?
The IUPAC name of chloro(heptan-4-yloxy)silane (CID 123935264) is chloro(heptan-4-yloxy)silane.
What is the SMILES notation for chloro(heptan-4-yloxy)silane?
The canonical SMILES for chloro(heptan-4-yloxy)silane is CCCC(CCC)O[SiH2]Cl.
What is the InChIKey of chloro(heptan-4-yloxy)silane?
The InChIKey is DZDQXYPMSUIAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17ClOSi/c1-3-5-7(6-4-2)9-10-8/h7H,3-6,10H2,1-2H3.
What are the key properties of chloro(heptan-4-yloxy)silane?
chloro(heptan-4-yloxy)silane has a molecular weight of 180.75 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(heptan-4-yloxy)silane is sourced from PubChem (CID 123935264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).