trimethyl-[11-(oxan-2-yloxy)undec-1-ynyl]stannane

C19H36O2Sn — CID 134904738

IUPACtrimethyl-[11-(oxan-2-yloxy)undec-1-ynyl]stannane
SMILESC[Sn](C)(C)C#CCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C16H27O2.3CH3.Sn/c1-2-3-4-5-6-7-8-9-11-14-17-16-13-10-12-15-18-16;;;;/h16H,3-15H2;3*1H3;
InChIKeyDFCIJVPMHBHHDH-UHFFFAOYSA-N
MW415.21 g/mol
LogP5.53
Rot. Bonds10

About trimethyl-[11-(oxan-2-yloxy)undec-1-ynyl]stannane

trimethyl-[11-(oxan-2-yloxy)undec-1-ynyl]stannane (PubChem CID 134904738) has the molecular formula C19H36O2Sn and a molecular weight of 415.21 g/mol. Its IUPAC name is trimethyl-[11-(oxan-2-yloxy)undec-1-ynyl]stannane.

Molecular Properties

Compound Nametrimethyl-[11-(oxan-2-yloxy)undec-1-ynyl]stannane
PubChem CID134904738
Molecular FormulaC19H36O2Sn
Molecular Weight415.21 g/mol
Exact Mass416.17
IUPAC Nametrimethyl-[11-(oxan-2-yloxy)undec-1-ynyl]stannane
SMILESC[Sn](C)(C)C#CCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C16H27O2.3CH3.Sn/c1-2-3-4-5-6-7-8-9-11-14-17-16-13-10-12-15-18-16;;;;/h16H,3-15H2;3*1H3;
InChIKeyDFCIJVPMHBHHDH-UHFFFAOYSA-N
XLogP5.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.21
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[11-(oxan-2-yloxy)undec-1-ynyl]stannane?
The IUPAC name of trimethyl-[11-(oxan-2-yloxy)undec-1-ynyl]stannane (CID 134904738) is trimethyl-[11-(oxan-2-yloxy)undec-1-ynyl]stannane.
What is the SMILES notation for trimethyl-[11-(oxan-2-yloxy)undec-1-ynyl]stannane?
The canonical SMILES for trimethyl-[11-(oxan-2-yloxy)undec-1-ynyl]stannane is C[Sn](C)(C)C#CCCCCCCCCCOC1CCCCO1.
What is the InChIKey of trimethyl-[11-(oxan-2-yloxy)undec-1-ynyl]stannane?
The InChIKey is DFCIJVPMHBHHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27O2.3CH3.Sn/c1-2-3-4-5-6-7-8-9-11-14-17-16-13-10-12-15-18-16;;;;/h16H,3-15H2;3*1H3;.
What are the key properties of trimethyl-[11-(oxan-2-yloxy)undec-1-ynyl]stannane?
trimethyl-[11-(oxan-2-yloxy)undec-1-ynyl]stannane has a molecular weight of 415.21 g/mol, XLogP of 5.53, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[11-(oxan-2-yloxy)undec-1-ynyl]stannane is sourced from PubChem (CID 134904738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).