3-[(Z)-4-methyl-3-tributylstannylpent-1-enoxy]propan-1-ol

C21H44O2Sn — CID 135000021

IUPAC3-[(Z)-4-methyl-3-tributylstannylpent-1-enoxy]propan-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)C(/C=C\OCCCO)C(C)C
InChIInChI=1S/C9H17O2.3C4H9.Sn/c1-9(2)5-3-7-11-8-4-6-10;3*1-3-4-2;/h3,5,7,9-10H,4,6,8H2,1-2H3;3*1,3-4H2,2H3;/b7-3-;;;;
InChIKeyCBZILUDHJCXTOY-GVHVKTCGSA-N
MW447.29 g/mol
LogP6.77
Rot. Bonds16

About 3-[(Z)-4-methyl-3-tributylstannylpent-1-enoxy]propan-1-ol

3-[(Z)-4-methyl-3-tributylstannylpent-1-enoxy]propan-1-ol (PubChem CID 135000021) has the molecular formula C21H44O2Sn and a molecular weight of 447.29 g/mol. Its IUPAC name is 3-[(Z)-4-methyl-3-tributylstannylpent-1-enoxy]propan-1-ol.

Molecular Properties

Compound Name3-[(Z)-4-methyl-3-tributylstannylpent-1-enoxy]propan-1-ol
PubChem CID135000021
Molecular FormulaC21H44O2Sn
Molecular Weight447.29 g/mol
Exact Mass448.24
IUPAC Name3-[(Z)-4-methyl-3-tributylstannylpent-1-enoxy]propan-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)C(/C=C\OCCCO)C(C)C
InChIInChI=1S/C9H17O2.3C4H9.Sn/c1-9(2)5-3-7-11-8-4-6-10;3*1-3-4-2;/h3,5,7,9-10H,4,6,8H2,1-2H3;3*1,3-4H2,2H3;/b7-3-;;;;
InChIKeyCBZILUDHJCXTOY-GVHVKTCGSA-N
XLogP6.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.29
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-4-methyl-3-tributylstannylpent-1-enoxy]propan-1-ol?
The IUPAC name of 3-[(Z)-4-methyl-3-tributylstannylpent-1-enoxy]propan-1-ol (CID 135000021) is 3-[(Z)-4-methyl-3-tributylstannylpent-1-enoxy]propan-1-ol.
What is the SMILES notation for 3-[(Z)-4-methyl-3-tributylstannylpent-1-enoxy]propan-1-ol?
The canonical SMILES for 3-[(Z)-4-methyl-3-tributylstannylpent-1-enoxy]propan-1-ol is CCCC[Sn](CCCC)(CCCC)C(/C=C\OCCCO)C(C)C.
What is the InChIKey of 3-[(Z)-4-methyl-3-tributylstannylpent-1-enoxy]propan-1-ol?
The InChIKey is CBZILUDHJCXTOY-GVHVKTCGSA-N. The full InChI is InChI=1S/C9H17O2.3C4H9.Sn/c1-9(2)5-3-7-11-8-4-6-10;3*1-3-4-2;/h3,5,7,9-10H,4,6,8H2,1-2H3;3*1,3-4H2,2H3;/b7-3-;;;;.
What are the key properties of 3-[(Z)-4-methyl-3-tributylstannylpent-1-enoxy]propan-1-ol?
3-[(Z)-4-methyl-3-tributylstannylpent-1-enoxy]propan-1-ol has a molecular weight of 447.29 g/mol, XLogP of 6.77, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-4-methyl-3-tributylstannylpent-1-enoxy]propan-1-ol is sourced from PubChem (CID 135000021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).