5-butylnonan-5-yloxy(methyl)tin

C14H30OSn — CID 87119305

IUPAC5-butylnonan-5-yloxy(methyl)tin
SMILESCCCCC(CCCC)(CCCC)O[Sn]C
InChIInChI=1S/C13H27O.CH3.Sn/c1-4-7-10-13(14,11-8-5-2)12-9-6-3;;/h4-12H2,1-3H3;1H3;/q-1;;+1
InChIKeyIYVJQJGTAYPDIK-UHFFFAOYSA-N
MW333.10 g/mol
LogP4.98
Rot. Bonds11

About 5-butylnonan-5-yloxy(methyl)tin

5-butylnonan-5-yloxy(methyl)tin (PubChem CID 87119305) has the molecular formula C14H30OSn and a molecular weight of 333.10 g/mol. Its IUPAC name is 5-butylnonan-5-yloxy(methyl)tin.

Molecular Properties

Compound Name5-butylnonan-5-yloxy(methyl)tin
PubChem CID87119305
Molecular FormulaC14H30OSn
Molecular Weight333.10 g/mol
Exact Mass334.13
IUPAC Name5-butylnonan-5-yloxy(methyl)tin
SMILESCCCCC(CCCC)(CCCC)O[Sn]C
InChIInChI=1S/C13H27O.CH3.Sn/c1-4-7-10-13(14,11-8-5-2)12-9-6-3;;/h4-12H2,1-3H3;1H3;/q-1;;+1
InChIKeyIYVJQJGTAYPDIK-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.10
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-butylnonan-5-yloxy(methyl)tin?
The IUPAC name of 5-butylnonan-5-yloxy(methyl)tin (CID 87119305) is 5-butylnonan-5-yloxy(methyl)tin.
What is the SMILES notation for 5-butylnonan-5-yloxy(methyl)tin?
The canonical SMILES for 5-butylnonan-5-yloxy(methyl)tin is CCCCC(CCCC)(CCCC)O[Sn]C.
What is the InChIKey of 5-butylnonan-5-yloxy(methyl)tin?
The InChIKey is IYVJQJGTAYPDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27O.CH3.Sn/c1-4-7-10-13(14,11-8-5-2)12-9-6-3;;/h4-12H2,1-3H3;1H3;/q-1;;+1.
What are the key properties of 5-butylnonan-5-yloxy(methyl)tin?
5-butylnonan-5-yloxy(methyl)tin has a molecular weight of 333.10 g/mol, XLogP of 4.98, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-yloxy(methyl)tin is sourced from PubChem (CID 87119305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).