2,2-dibutyl-4-phenyl-1,3,2-dioxastannolane

C16H26O2Sn — CID 16695949

IUPAC2,2-dibutyl-4-phenyl-1,3,2-dioxastannolane
SMILESCCCC[Sn]1(CCCC)OCC(c2ccccc2)O1
InChIInChI=1S/C8H8O2.2C4H9.Sn/c9-6-8(10)7-4-2-1-3-5-7;2*1-3-4-2;/h1-5,8H,6H2;2*1,3-4H2,2H3;/q-2;;;+2
InChIKeyBGQGOSISNLANIM-UHFFFAOYSA-N
MW369.09 g/mol
LogP4.82
Rot. Bonds7

About 2,2-dibutyl-4-phenyl-1,3,2-dioxastannolane

2,2-dibutyl-4-phenyl-1,3,2-dioxastannolane (PubChem CID 16695949) has the molecular formula C16H26O2Sn and a molecular weight of 369.09 g/mol. Its IUPAC name is 2,2-dibutyl-4-phenyl-1,3,2-dioxastannolane.

Molecular Properties

Compound Name2,2-dibutyl-4-phenyl-1,3,2-dioxastannolane
PubChem CID16695949
Molecular FormulaC16H26O2Sn
Molecular Weight369.09 g/mol
Exact Mass370.10
IUPAC Name2,2-dibutyl-4-phenyl-1,3,2-dioxastannolane
SMILESCCCC[Sn]1(CCCC)OCC(c2ccccc2)O1
InChIInChI=1S/C8H8O2.2C4H9.Sn/c9-6-8(10)7-4-2-1-3-5-7;2*1-3-4-2;/h1-5,8H,6H2;2*1,3-4H2,2H3;/q-2;;;+2
InChIKeyBGQGOSISNLANIM-UHFFFAOYSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.09
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Phenylethanol
CID 7409
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
1-Phenyl-1,2-ethanediol
CID 7149
1-Phenylethanol, (R)-
CID 637516
1-Phenylethanol, (S)-
CID 443135
Tert-butyl cumene peroxide
CID 76997
(1R)-(-)-1-Phenylethane-1,2-diol
CID 2724621
fenipentol, (S)-
CID 6992754
Benzene, (1-ethoxyethyl)-
CID 18693
1-Phenylbutan-1-ol
CID 179386
Benzene, [2-(1-methylethoxy)ethyl]-
CID 106442

Frequently Asked Questions

What is the IUPAC name of 2,2-dibutyl-4-phenyl-1,3,2-dioxastannolane?
The IUPAC name of 2,2-dibutyl-4-phenyl-1,3,2-dioxastannolane (CID 16695949) is 2,2-dibutyl-4-phenyl-1,3,2-dioxastannolane.
What is the SMILES notation for 2,2-dibutyl-4-phenyl-1,3,2-dioxastannolane?
The canonical SMILES for 2,2-dibutyl-4-phenyl-1,3,2-dioxastannolane is CCCC[Sn]1(CCCC)OCC(c2ccccc2)O1.
What is the InChIKey of 2,2-dibutyl-4-phenyl-1,3,2-dioxastannolane?
The InChIKey is BGQGOSISNLANIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.2C4H9.Sn/c9-6-8(10)7-4-2-1-3-5-7;2*1-3-4-2;/h1-5,8H,6H2;2*1,3-4H2,2H3;/q-2;;;+2.
What are the key properties of 2,2-dibutyl-4-phenyl-1,3,2-dioxastannolane?
2,2-dibutyl-4-phenyl-1,3,2-dioxastannolane has a molecular weight of 369.09 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibutyl-4-phenyl-1,3,2-dioxastannolane is sourced from PubChem (CID 16695949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).