(E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enal

C23H46O3Sn — CID 86675858

IUPAC(E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enal
SMILESCCCC[Sn](/C=C/[C@H](OC)[C@H](C)[C@@H](OC)[C@@H](C)C=O)(CCCC)CCCC
InChIInChI=1S/C11H19O3.3C4H9.Sn/c1-6-10(13-4)9(3)11(14-5)8(2)7-12;3*1-3-4-2;/h1,6-11H,2-5H3;3*1,3-4H2,2H3;/t8-,9-,10-,11-;;;;/m0..../s1
InChIKeyBJCNPNKZDGXFMG-NNWLFPQKSA-N
MW489.33 g/mol
LogP6.43
Rot. Bonds17

About (E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enal

(E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enal (PubChem CID 86675858) has the molecular formula C23H46O3Sn and a molecular weight of 489.33 g/mol. Its IUPAC name is (E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enal.

Molecular Properties

Compound Name(E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enal
PubChem CID86675858
Molecular FormulaC23H46O3Sn
Molecular Weight489.33 g/mol
Exact Mass490.25
IUPAC Name(E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enal
SMILESCCCC[Sn](/C=C/[C@H](OC)[C@H](C)[C@@H](OC)[C@@H](C)C=O)(CCCC)CCCC
InChIInChI=1S/C11H19O3.3C4H9.Sn/c1-6-10(13-4)9(3)11(14-5)8(2)7-12;3*1-3-4-2;/h1,6-11H,2-5H3;3*1,3-4H2,2H3;/t8-,9-,10-,11-;;;;/m0..../s1
InChIKeyBJCNPNKZDGXFMG-NNWLFPQKSA-N
XLogP6.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.33
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enal?
The IUPAC name of (E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enal (CID 86675858) is (E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enal.
What is the SMILES notation for (E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enal?
The canonical SMILES for (E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enal is CCCC[Sn](/C=C/[C@H](OC)[C@H](C)[C@@H](OC)[C@@H](C)C=O)(CCCC)CCCC.
What is the InChIKey of (E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enal?
The InChIKey is BJCNPNKZDGXFMG-NNWLFPQKSA-N. The full InChI is InChI=1S/C11H19O3.3C4H9.Sn/c1-6-10(13-4)9(3)11(14-5)8(2)7-12;3*1-3-4-2;/h1,6-11H,2-5H3;3*1,3-4H2,2H3;/t8-,9-,10-,11-;;;;/m0..../s1.
What are the key properties of (E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enal?
(E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enal has a molecular weight of 489.33 g/mol, XLogP of 6.43, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3R,4R,5R)-3,5-dimethoxy-2,4-dimethyl-7-tributylstannylhept-6-enal is sourced from PubChem (CID 86675858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).