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

C22H46O2Sn — CID 135000707

IUPAC3-[(Z)-4,4-dimethyl-3-tributylstannylpent-1-enoxy]propan-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)C(/C=C\OCCCO)C(C)(C)C
InChIInChI=1S/C10H19O2.3C4H9.Sn/c1-10(2,3)6-4-8-12-9-5-7-11;3*1-3-4-2;/h4,6,8,11H,5,7,9H2,1-3H3;3*1,3-4H2,2H3;/b8-4-;;;;
InChIKeyMDBIISXDQGEVQO-MEMAXDAESA-N
MW461.32 g/mol
LogP7.16
Rot. Bonds15

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

3-[(Z)-4,4-dimethyl-3-tributylstannylpent-1-enoxy]propan-1-ol (PubChem CID 135000707) has the molecular formula C22H46O2Sn and a molecular weight of 461.32 g/mol. Its IUPAC name is 3-[(Z)-4,4-dimethyl-3-tributylstannylpent-1-enoxy]propan-1-ol.

Molecular Properties

Compound Name3-[(Z)-4,4-dimethyl-3-tributylstannylpent-1-enoxy]propan-1-ol
PubChem CID135000707
Molecular FormulaC22H46O2Sn
Molecular Weight461.32 g/mol
Exact Mass462.25
IUPAC Name3-[(Z)-4,4-dimethyl-3-tributylstannylpent-1-enoxy]propan-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)C(/C=C\OCCCO)C(C)(C)C
InChIInChI=1S/C10H19O2.3C4H9.Sn/c1-10(2,3)6-4-8-12-9-5-7-11;3*1-3-4-2;/h4,6,8,11H,5,7,9H2,1-3H3;3*1,3-4H2,2H3;/b8-4-;;;;
InChIKeyMDBIISXDQGEVQO-MEMAXDAESA-N
XLogP7.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.32
LogP ≤ 57.16
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)-4,4-dimethyl-3-tributylstannylpent-1-enoxy]propan-1-ol?
The IUPAC name of 3-[(Z)-4,4-dimethyl-3-tributylstannylpent-1-enoxy]propan-1-ol (CID 135000707) is 3-[(Z)-4,4-dimethyl-3-tributylstannylpent-1-enoxy]propan-1-ol.
What is the SMILES notation for 3-[(Z)-4,4-dimethyl-3-tributylstannylpent-1-enoxy]propan-1-ol?
The canonical SMILES for 3-[(Z)-4,4-dimethyl-3-tributylstannylpent-1-enoxy]propan-1-ol is CCCC[Sn](CCCC)(CCCC)C(/C=C\OCCCO)C(C)(C)C.
What is the InChIKey of 3-[(Z)-4,4-dimethyl-3-tributylstannylpent-1-enoxy]propan-1-ol?
The InChIKey is MDBIISXDQGEVQO-MEMAXDAESA-N. The full InChI is InChI=1S/C10H19O2.3C4H9.Sn/c1-10(2,3)6-4-8-12-9-5-7-11;3*1-3-4-2;/h4,6,8,11H,5,7,9H2,1-3H3;3*1,3-4H2,2H3;/b8-4-;;;;.
What are the key properties of 3-[(Z)-4,4-dimethyl-3-tributylstannylpent-1-enoxy]propan-1-ol?
3-[(Z)-4,4-dimethyl-3-tributylstannylpent-1-enoxy]propan-1-ol has a molecular weight of 461.32 g/mol, XLogP of 7.16, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-4,4-dimethyl-3-tributylstannylpent-1-enoxy]propan-1-ol is sourced from PubChem (CID 135000707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).