[(Z)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoxy]methyl-tributylstannane

C24H46O5Sn — CID 10721039

IUPAC[(Z)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoxy]methyl-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)COC/C=C\[C@H]1O[C@@H](OC)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C12H19O5.3C4H9.Sn/c1-12(2)16-9-8(6-5-7-13-3)15-11(14-4)10(9)17-12;3*1-3-4-2;/h5-6,8-11H,3,7H2,1-2,4H3;3*1,3-4H2,2H3;/b6-5-;;;;/t8-,9-,10-,11-;;;;/m1..../s1
InChIKeyCPWTYEPVORNDCY-NISREJIESA-N
MW533.34 g/mol
LogP5.84
Rot. Bonds15

About [(Z)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoxy]methyl-tributylstannane

[(Z)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoxy]methyl-tributylstannane (PubChem CID 10721039) has the molecular formula C24H46O5Sn and a molecular weight of 533.34 g/mol. Its IUPAC name is [(Z)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoxy]methyl-tributylstannane.

Molecular Properties

Compound Name[(Z)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoxy]methyl-tributylstannane
PubChem CID10721039
Molecular FormulaC24H46O5Sn
Molecular Weight533.34 g/mol
Exact Mass534.24
IUPAC Name[(Z)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoxy]methyl-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)COC/C=C\[C@H]1O[C@@H](OC)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C12H19O5.3C4H9.Sn/c1-12(2)16-9-8(6-5-7-13-3)15-11(14-4)10(9)17-12;3*1-3-4-2;/h5-6,8-11H,3,7H2,1-2,4H3;3*1,3-4H2,2H3;/b6-5-;;;;/t8-,9-,10-,11-;;;;/m1..../s1
InChIKeyCPWTYEPVORNDCY-NISREJIESA-N
XLogP5.84
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.34
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoxy]methyl-tributylstannane?
The IUPAC name of [(Z)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoxy]methyl-tributylstannane (CID 10721039) is [(Z)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoxy]methyl-tributylstannane.
What is the SMILES notation for [(Z)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoxy]methyl-tributylstannane?
The canonical SMILES for [(Z)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoxy]methyl-tributylstannane is CCCC[Sn](CCCC)(CCCC)COC/C=C\[C@H]1O[C@@H](OC)[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of [(Z)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoxy]methyl-tributylstannane?
The InChIKey is CPWTYEPVORNDCY-NISREJIESA-N. The full InChI is InChI=1S/C12H19O5.3C4H9.Sn/c1-12(2)16-9-8(6-5-7-13-3)15-11(14-4)10(9)17-12;3*1-3-4-2;/h5-6,8-11H,3,7H2,1-2,4H3;3*1,3-4H2,2H3;/b6-5-;;;;/t8-,9-,10-,11-;;;;/m1..../s1.
What are the key properties of [(Z)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoxy]methyl-tributylstannane?
[(Z)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoxy]methyl-tributylstannane has a molecular weight of 533.34 g/mol, XLogP of 5.84, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoxy]methyl-tributylstannane is sourced from PubChem (CID 10721039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).