(4S,5S)-4-[(2S)-but-3-en-2-yl]-2,2-dibutyl-5-methyl-1,3,2-dioxastanninane

C16H32O2Sn — CID 16687705

IUPAC(4S,5S)-4-[(2S)-but-3-en-2-yl]-2,2-dibutyl-5-methyl-1,3,2-dioxastanninane
SMILESC=C[C@H](C)[C@@H]1O[Sn](CCCC)(CCCC)OC[C@@H]1C
InChIInChI=1S/C8H14O2.2C4H9.Sn/c1-4-6(2)8(10)7(3)5-9;2*1-3-4-2;/h4,6-8H,1,5H2,2-3H3;2*1,3-4H2,2H3;/q-2;;;+2/t6-,7-,8-;;;/m0.../s1
InChIKeyZKSHDROLQSWTOH-VZDYBUKWSA-N
MW375.14 g/mol
LogP4.90
Rot. Bonds8

About (4S,5S)-4-[(2S)-but-3-en-2-yl]-2,2-dibutyl-5-methyl-1,3,2-dioxastanninane

(4S,5S)-4-[(2S)-but-3-en-2-yl]-2,2-dibutyl-5-methyl-1,3,2-dioxastanninane (PubChem CID 16687705) has the molecular formula C16H32O2Sn and a molecular weight of 375.14 g/mol. Its IUPAC name is (4S,5S)-4-[(2S)-but-3-en-2-yl]-2,2-dibutyl-5-methyl-1,3,2-dioxastanninane.

Molecular Properties

Compound Name(4S,5S)-4-[(2S)-but-3-en-2-yl]-2,2-dibutyl-5-methyl-1,3,2-dioxastanninane
PubChem CID16687705
Molecular FormulaC16H32O2Sn
Molecular Weight375.14 g/mol
Exact Mass376.14
IUPAC Name(4S,5S)-4-[(2S)-but-3-en-2-yl]-2,2-dibutyl-5-methyl-1,3,2-dioxastanninane
SMILESC=C[C@H](C)[C@@H]1O[Sn](CCCC)(CCCC)OC[C@@H]1C
InChIInChI=1S/C8H14O2.2C4H9.Sn/c1-4-6(2)8(10)7(3)5-9;2*1-3-4-2;/h4,6-8H,1,5H2,2-3H3;2*1,3-4H2,2H3;/q-2;;;+2/t6-,7-,8-;;;/m0.../s1
InChIKeyZKSHDROLQSWTOH-VZDYBUKWSA-N
XLogP4.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.14
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,4,4,6,6-hexabutyl-1,3,5,2,4,6-trioxatristanninane
CID 71360609
2,2-dibutyl-1,3,2-dioxastannolane;1,1-diethoxyethane
CID 66811542
(2R)-2-[(2S)-but-3-en-2-yl]oxirane
CID 10103123
2,2-dibutyl-4,7-dihydro-1,3,2-dioxastannepine
CID 16703205
5-but-3-en-2-yl-4-methyloxolan-2-ol
CID 130150445
1,2-dimethylcyclobutane;pentane
CID 142846915
3,3,15,15-tetrabutyl-2,4,7,11,14,16,19-heptaoxa-3,15-distannaspiro[8.11]icosane
CID 16688813
ethenol;hexane
CID 22706833
2-methyloxirane;1-octadecoxyoctadecane
CID 88807513
3-methyl-2-pentyloxetane
CID 20557182
2-(2,3-dimethyltridecyl)oxirane
CID 56626269
1-methyl-2-(2-methylpropyl)cyclohexane;nonane
CID 142044958

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-[(2S)-but-3-en-2-yl]-2,2-dibutyl-5-methyl-1,3,2-dioxastanninane?
The IUPAC name of (4S,5S)-4-[(2S)-but-3-en-2-yl]-2,2-dibutyl-5-methyl-1,3,2-dioxastanninane (CID 16687705) is (4S,5S)-4-[(2S)-but-3-en-2-yl]-2,2-dibutyl-5-methyl-1,3,2-dioxastanninane.
What is the SMILES notation for (4S,5S)-4-[(2S)-but-3-en-2-yl]-2,2-dibutyl-5-methyl-1,3,2-dioxastanninane?
The canonical SMILES for (4S,5S)-4-[(2S)-but-3-en-2-yl]-2,2-dibutyl-5-methyl-1,3,2-dioxastanninane is C=C[C@H](C)[C@@H]1O[Sn](CCCC)(CCCC)OC[C@@H]1C.
What is the InChIKey of (4S,5S)-4-[(2S)-but-3-en-2-yl]-2,2-dibutyl-5-methyl-1,3,2-dioxastanninane?
The InChIKey is ZKSHDROLQSWTOH-VZDYBUKWSA-N. The full InChI is InChI=1S/C8H14O2.2C4H9.Sn/c1-4-6(2)8(10)7(3)5-9;2*1-3-4-2;/h4,6-8H,1,5H2,2-3H3;2*1,3-4H2,2H3;/q-2;;;+2/t6-,7-,8-;;;/m0.../s1.
What are the key properties of (4S,5S)-4-[(2S)-but-3-en-2-yl]-2,2-dibutyl-5-methyl-1,3,2-dioxastanninane?
(4S,5S)-4-[(2S)-but-3-en-2-yl]-2,2-dibutyl-5-methyl-1,3,2-dioxastanninane has a molecular weight of 375.14 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-[(2S)-but-3-en-2-yl]-2,2-dibutyl-5-methyl-1,3,2-dioxastanninane is sourced from PubChem (CID 16687705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).