(2,2-dibutyl-5-ethyl-1,3,2-dioxastanninan-5-yl)methanol

C14H30O3Sn — CID 59297314

IUPAC(2,2-dibutyl-5-ethyl-1,3,2-dioxastanninan-5-yl)methanol
SMILESCCCC[Sn]1(CCCC)OCC(CC)(CO)CO1
InChIInChI=1S/C6H12O3.2C4H9.Sn/c1-2-6(3-7,4-8)5-9;2*1-3-4-2;/h7H,2-5H2,1H3;2*1,3-4H2,2H3;/q-2;;;+2
InChIKeyHEJPCCBVSXOYHD-UHFFFAOYSA-N
MW365.10 g/mol
LogP3.46
Rot. Bonds8

About (2,2-dibutyl-5-ethyl-1,3,2-dioxastanninan-5-yl)methanol

(2,2-dibutyl-5-ethyl-1,3,2-dioxastanninan-5-yl)methanol (PubChem CID 59297314) has the molecular formula C14H30O3Sn and a molecular weight of 365.10 g/mol. Its IUPAC name is (2,2-dibutyl-5-ethyl-1,3,2-dioxastanninan-5-yl)methanol.

Molecular Properties

Compound Name(2,2-dibutyl-5-ethyl-1,3,2-dioxastanninan-5-yl)methanol
PubChem CID59297314
Molecular FormulaC14H30O3Sn
Molecular Weight365.10 g/mol
Exact Mass366.12
IUPAC Name(2,2-dibutyl-5-ethyl-1,3,2-dioxastanninan-5-yl)methanol
SMILESCCCC[Sn]1(CCCC)OCC(CC)(CO)CO1
InChIInChI=1S/C6H12O3.2C4H9.Sn/c1-2-6(3-7,4-8)5-9;2*1-3-4-2;/h7H,2-5H2,1H3;2*1,3-4H2,2H3;/q-2;;;+2
InChIKeyHEJPCCBVSXOYHD-UHFFFAOYSA-N
XLogP3.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.10
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,2-dibutyl-5-ethyl-1,3,2-dioxastanninan-5-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,2-dibutyl-5-ethyl-1,3,2-dioxastanninan-5-yl)methanol?
The IUPAC name of (2,2-dibutyl-5-ethyl-1,3,2-dioxastanninan-5-yl)methanol (CID 59297314) is (2,2-dibutyl-5-ethyl-1,3,2-dioxastanninan-5-yl)methanol.
What is the SMILES notation for (2,2-dibutyl-5-ethyl-1,3,2-dioxastanninan-5-yl)methanol?
The canonical SMILES for (2,2-dibutyl-5-ethyl-1,3,2-dioxastanninan-5-yl)methanol is CCCC[Sn]1(CCCC)OCC(CC)(CO)CO1.
What is the InChIKey of (2,2-dibutyl-5-ethyl-1,3,2-dioxastanninan-5-yl)methanol?
The InChIKey is HEJPCCBVSXOYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.2C4H9.Sn/c1-2-6(3-7,4-8)5-9;2*1-3-4-2;/h7H,2-5H2,1H3;2*1,3-4H2,2H3;/q-2;;;+2.
What are the key properties of (2,2-dibutyl-5-ethyl-1,3,2-dioxastanninan-5-yl)methanol?
(2,2-dibutyl-5-ethyl-1,3,2-dioxastanninan-5-yl)methanol has a molecular weight of 365.10 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dibutyl-5-ethyl-1,3,2-dioxastanninan-5-yl)methanol is sourced from PubChem (CID 59297314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).