heptan-2-yl(trimethoxy)silane

C10H24O3Si — CID 22937109

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

About heptan-2-yl(trimethoxy)silane

heptan-2-yl(trimethoxy)silane (PubChem CID 22937109) has the molecular formula C10H24O3Si and a molecular weight of 220.38 g/mol. Its IUPAC name is heptan-2-yl(trimethoxy)silane.

Molecular Properties

Compound Nameheptan-2-yl(trimethoxy)silane
PubChem CID22937109
Molecular FormulaC10H24O3Si
Molecular Weight220.38 g/mol
Exact Mass220.15
IUPAC Nameheptan-2-yl(trimethoxy)silane
SMILESCCCCCC(C)[Si](OC)(OC)OC
InChIInChI=1S/C10H24O3Si/c1-6-7-8-9-10(2)14(11-3,12-4)13-5/h10H,6-9H2,1-5H3
InChIKeyIQJDIRJWIMCUTN-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of heptan-2-yl(trimethoxy)silane?
The IUPAC name of heptan-2-yl(trimethoxy)silane (CID 22937109) is heptan-2-yl(trimethoxy)silane.
What is the SMILES notation for heptan-2-yl(trimethoxy)silane?
The canonical SMILES for heptan-2-yl(trimethoxy)silane is CCCCCC(C)[Si](OC)(OC)OC.
What is the InChIKey of heptan-2-yl(trimethoxy)silane?
The InChIKey is IQJDIRJWIMCUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24O3Si/c1-6-7-8-9-10(2)14(11-3,12-4)13-5/h10H,6-9H2,1-5H3.
What are the key properties of heptan-2-yl(trimethoxy)silane?
heptan-2-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-2-yl(trimethoxy)silane is sourced from PubChem (CID 22937109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).