3-[dimethoxy(methyl)silyl]oxyhexane-1,6-diamine

C9H24N2O3Si — CID 87718092

IUPAC3-[dimethoxy(methyl)silyl]oxyhexane-1,6-diamine
SMILESCO[Si](C)(OC)OC(CCN)CCCN
InChIInChI=1S/C9H24N2O3Si/c1-12-15(3,13-2)14-9(6-8-11)5-4-7-10/h9H,4-8,10-11H2,1-3H3
InChIKeyYLZNCYQTJFMJLR-UHFFFAOYSA-N
MW236.39 g/mol
LogP0.32
Rot. Bonds9

About 3-[dimethoxy(methyl)silyl]oxyhexane-1,6-diamine

3-[dimethoxy(methyl)silyl]oxyhexane-1,6-diamine (PubChem CID 87718092) has the molecular formula C9H24N2O3Si and a molecular weight of 236.39 g/mol. Its IUPAC name is 3-[dimethoxy(methyl)silyl]oxyhexane-1,6-diamine.

Molecular Properties

Compound Name3-[dimethoxy(methyl)silyl]oxyhexane-1,6-diamine
PubChem CID87718092
Molecular FormulaC9H24N2O3Si
Molecular Weight236.39 g/mol
Exact Mass236.16
IUPAC Name3-[dimethoxy(methyl)silyl]oxyhexane-1,6-diamine
SMILESCO[Si](C)(OC)OC(CCN)CCCN
InChIInChI=1S/C9H24N2O3Si/c1-12-15(3,13-2)14-9(6-8-11)5-4-7-10/h9H,4-8,10-11H2,1-3H3
InChIKeyYLZNCYQTJFMJLR-UHFFFAOYSA-N
XLogP0.32
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.39
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-[dimethoxy(methyl)silyl]oxyhexane-1,6-diamine?
The IUPAC name of 3-[dimethoxy(methyl)silyl]oxyhexane-1,6-diamine (CID 87718092) is 3-[dimethoxy(methyl)silyl]oxyhexane-1,6-diamine.
What is the SMILES notation for 3-[dimethoxy(methyl)silyl]oxyhexane-1,6-diamine?
The canonical SMILES for 3-[dimethoxy(methyl)silyl]oxyhexane-1,6-diamine is CO[Si](C)(OC)OC(CCN)CCCN.
What is the InChIKey of 3-[dimethoxy(methyl)silyl]oxyhexane-1,6-diamine?
The InChIKey is YLZNCYQTJFMJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N2O3Si/c1-12-15(3,13-2)14-9(6-8-11)5-4-7-10/h9H,4-8,10-11H2,1-3H3.
What are the key properties of 3-[dimethoxy(methyl)silyl]oxyhexane-1,6-diamine?
3-[dimethoxy(methyl)silyl]oxyhexane-1,6-diamine has a molecular weight of 236.39 g/mol, XLogP of 0.32, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethoxy(methyl)silyl]oxyhexane-1,6-diamine is sourced from PubChem (CID 87718092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).