2,2-dibutyl-1,3,2-dioxastannolane;1,1-diethoxyethane

C16H36O4Sn — CID 66811542

IUPAC2,2-dibutyl-1,3,2-dioxastannolane;1,1-diethoxyethane
SMILESCCCC[Sn]1(CCCC)OCCO1.CCOC(C)OCC
InChIInChI=1S/C6H14O2.2C4H9.C2H4O2.Sn/c1-4-7-6(3)8-5-2;2*1-3-4-2;3-1-2-4;/h6H,4-5H2,1-3H3;2*1,3-4H2,2H3;1-2H2;/q;;;-2;+2
InChIKeyOGMFCMYWOZUIQT-UHFFFAOYSA-N
MW411.17 g/mol
LogP4.48
Rot. Bonds10

About 2,2-dibutyl-1,3,2-dioxastannolane;1,1-diethoxyethane

2,2-dibutyl-1,3,2-dioxastannolane;1,1-diethoxyethane (PubChem CID 66811542) has the molecular formula C16H36O4Sn and a molecular weight of 411.17 g/mol. Its IUPAC name is 2,2-dibutyl-1,3,2-dioxastannolane;1,1-diethoxyethane.

Molecular Properties

Compound Name2,2-dibutyl-1,3,2-dioxastannolane;1,1-diethoxyethane
PubChem CID66811542
Molecular FormulaC16H36O4Sn
Molecular Weight411.17 g/mol
Exact Mass412.16
IUPAC Name2,2-dibutyl-1,3,2-dioxastannolane;1,1-diethoxyethane
SMILESCCCC[Sn]1(CCCC)OCCO1.CCOC(C)OCC
InChIInChI=1S/C6H14O2.2C4H9.C2H4O2.Sn/c1-4-7-6(3)8-5-2;2*1-3-4-2;3-1-2-4;/h6H,4-5H2,1-3H3;2*1,3-4H2,2H3;1-2H2;/q;;;-2;+2
InChIKeyOGMFCMYWOZUIQT-UHFFFAOYSA-N
XLogP4.48
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.17
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-diethoxyethane
CID 7765
cyclopropane;1,1-diethoxyethane
CID 67020569
1,1-diethoxyethane;stannane
CID 87529398
1,1-diethoxyethane;sulfane
CID 87563963
butane;1,1-diethoxyethane;ethenone
CID 87967694
1,1-diethoxyethane;N-methylmethanamine
CID 90073696
1-ethoxy-1-[1-(1-ethoxyethoxymethoxy)ethoxymethoxy]ethane
CID 161169297
2,2,4,4,6,6-hexabutyl-1,3,5,2,4,6-trioxatristanninane
CID 71360609
CID 171374592
CID 171374592
3-(1-ethoxyethoxymethyl)heptane
CID 173293823
1,1-dimethoxyethane;1-ethoxy-1-methoxyethane
CID 175467857
9-(1-ethoxyethoxymethyl)nonadecane
CID 88960911

Frequently Asked Questions

What is the IUPAC name of 2,2-dibutyl-1,3,2-dioxastannolane;1,1-diethoxyethane?
The IUPAC name of 2,2-dibutyl-1,3,2-dioxastannolane;1,1-diethoxyethane (CID 66811542) is 2,2-dibutyl-1,3,2-dioxastannolane;1,1-diethoxyethane.
What is the SMILES notation for 2,2-dibutyl-1,3,2-dioxastannolane;1,1-diethoxyethane?
The canonical SMILES for 2,2-dibutyl-1,3,2-dioxastannolane;1,1-diethoxyethane is CCCC[Sn]1(CCCC)OCCO1.CCOC(C)OCC.
What is the InChIKey of 2,2-dibutyl-1,3,2-dioxastannolane;1,1-diethoxyethane?
The InChIKey is OGMFCMYWOZUIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.2C4H9.C2H4O2.Sn/c1-4-7-6(3)8-5-2;2*1-3-4-2;3-1-2-4;/h6H,4-5H2,1-3H3;2*1,3-4H2,2H3;1-2H2;/q;;;-2;+2.
What are the key properties of 2,2-dibutyl-1,3,2-dioxastannolane;1,1-diethoxyethane?
2,2-dibutyl-1,3,2-dioxastannolane;1,1-diethoxyethane has a molecular weight of 411.17 g/mol, XLogP of 4.48, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibutyl-1,3,2-dioxastannolane;1,1-diethoxyethane is sourced from PubChem (CID 66811542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).