8-[dihydroxy(propyl)silyl]octan-1-amine

C11H27NO2Si — CID 87682842

IUPAC8-[dihydroxy(propyl)silyl]octan-1-amine
SMILESCCC[Si](O)(O)CCCCCCCCN
InChIInChI=1S/C11H27NO2Si/c1-2-10-15(13,14)11-8-6-4-3-5-7-9-12/h13-14H,2-12H2,1H3
InChIKeyQOUUATIJNRSHMW-UHFFFAOYSA-N
MW233.43 g/mol
LogP2.12
Rot. Bonds10

About 8-[dihydroxy(propyl)silyl]octan-1-amine

8-[dihydroxy(propyl)silyl]octan-1-amine (PubChem CID 87682842) has the molecular formula C11H27NO2Si and a molecular weight of 233.43 g/mol. Its IUPAC name is 8-[dihydroxy(propyl)silyl]octan-1-amine.

Molecular Properties

Compound Name8-[dihydroxy(propyl)silyl]octan-1-amine
PubChem CID87682842
Molecular FormulaC11H27NO2Si
Molecular Weight233.43 g/mol
Exact Mass233.18
IUPAC Name8-[dihydroxy(propyl)silyl]octan-1-amine
SMILESCCC[Si](O)(O)CCCCCCCCN
InChIInChI=1S/C11H27NO2Si/c1-2-10-15(13,14)11-8-6-4-3-5-7-9-12/h13-14H,2-12H2,1H3
InChIKeyQOUUATIJNRSHMW-UHFFFAOYSA-N
XLogP2.12
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.43
LogP ≤ 52.12
H-Bond Donors ≤ 53
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 8-[dihydroxy(propyl)silyl]octan-1-amine?
The IUPAC name of 8-[dihydroxy(propyl)silyl]octan-1-amine (CID 87682842) is 8-[dihydroxy(propyl)silyl]octan-1-amine.
What is the SMILES notation for 8-[dihydroxy(propyl)silyl]octan-1-amine?
The canonical SMILES for 8-[dihydroxy(propyl)silyl]octan-1-amine is CCC[Si](O)(O)CCCCCCCCN.
What is the InChIKey of 8-[dihydroxy(propyl)silyl]octan-1-amine?
The InChIKey is QOUUATIJNRSHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27NO2Si/c1-2-10-15(13,14)11-8-6-4-3-5-7-9-12/h13-14H,2-12H2,1H3.
What are the key properties of 8-[dihydroxy(propyl)silyl]octan-1-amine?
8-[dihydroxy(propyl)silyl]octan-1-amine has a molecular weight of 233.43 g/mol, XLogP of 2.12, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[dihydroxy(propyl)silyl]octan-1-amine is sourced from PubChem (CID 87682842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).