heptan-3-yl(trimethoxy)silane

C10H24O3Si — CID 91804732

IUPACheptan-3-yl(trimethoxy)silane
SMILESCCCCC(CC)[Si](OC)(OC)OC
InChIInChI=1S/C10H24O3Si/c1-6-8-9-10(7-2)14(11-3,12-4)13-5/h10H,6-9H2,1-5H3
InChIKeyUOUSIUPAJPOEMX-UHFFFAOYSA-N
MW220.38 g/mol
LogP2.83
Rot. Bonds8

About heptan-3-yl(trimethoxy)silane

heptan-3-yl(trimethoxy)silane (PubChem CID 91804732) has the molecular formula C10H24O3Si and a molecular weight of 220.38 g/mol. Its IUPAC name is heptan-3-yl(trimethoxy)silane.

Molecular Properties

Compound Nameheptan-3-yl(trimethoxy)silane
PubChem CID91804732
Molecular FormulaC10H24O3Si
Molecular Weight220.38 g/mol
Exact Mass220.15
IUPAC Nameheptan-3-yl(trimethoxy)silane
SMILESCCCCC(CC)[Si](OC)(OC)OC
InChIInChI=1S/C10H24O3Si/c1-6-8-9-10(7-2)14(11-3,12-4)13-5/h10H,6-9H2,1-5H3
InChIKeyUOUSIUPAJPOEMX-UHFFFAOYSA-N
XLogP2.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of heptan-3-yl(trimethoxy)silane?
The IUPAC name of heptan-3-yl(trimethoxy)silane (CID 91804732) is heptan-3-yl(trimethoxy)silane.
What is the SMILES notation for heptan-3-yl(trimethoxy)silane?
The canonical SMILES for heptan-3-yl(trimethoxy)silane is CCCCC(CC)[Si](OC)(OC)OC.
What is the InChIKey of heptan-3-yl(trimethoxy)silane?
The InChIKey is UOUSIUPAJPOEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24O3Si/c1-6-8-9-10(7-2)14(11-3,12-4)13-5/h10H,6-9H2,1-5H3.
What are the key properties of heptan-3-yl(trimethoxy)silane?
heptan-3-yl(trimethoxy)silane has a molecular weight of 220.38 g/mol, XLogP of 2.83, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-3-yl(trimethoxy)silane is sourced from PubChem (CID 91804732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).