(3E,5E)-6-chloro-4-tributylstannylhexa-3,5-dien-2-ol

C18H35ClOSn — CID 135046193

IUPAC(3E,5E)-6-chloro-4-tributylstannylhexa-3,5-dien-2-ol
SMILESCCCC[Sn](CCCC)(CCCC)C(/C=C/Cl)=C/C(C)O
InChIInChI=1S/C6H8ClO.3C4H9.Sn/c1-6(8)4-2-3-5-7;3*1-3-4-2;/h3-6,8H,1H3;3*1,3-4H2,2H3;/b4-2?,5-3+;;;;
InChIKeyWMLPNCPZRASJEG-UZLSXEPSSA-N
MW421.64 g/mol
LogP6.43
Rot. Bonds12

About (3E,5E)-6-chloro-4-tributylstannylhexa-3,5-dien-2-ol

(3E,5E)-6-chloro-4-tributylstannylhexa-3,5-dien-2-ol (PubChem CID 135046193) has the molecular formula C18H35ClOSn and a molecular weight of 421.64 g/mol. Its IUPAC name is (3E,5E)-6-chloro-4-tributylstannylhexa-3,5-dien-2-ol.

Molecular Properties

Compound Name(3E,5E)-6-chloro-4-tributylstannylhexa-3,5-dien-2-ol
PubChem CID135046193
Molecular FormulaC18H35ClOSn
Molecular Weight421.64 g/mol
Exact Mass422.14
IUPAC Name(3E,5E)-6-chloro-4-tributylstannylhexa-3,5-dien-2-ol
SMILESCCCC[Sn](CCCC)(CCCC)C(/C=C/Cl)=C/C(C)O
InChIInChI=1S/C6H8ClO.3C4H9.Sn/c1-6(8)4-2-3-5-7;3*1-3-4-2;/h3-6,8H,1H3;3*1,3-4H2,2H3;/b4-2?,5-3+;;;;
InChIKeyWMLPNCPZRASJEG-UZLSXEPSSA-N
XLogP6.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.64
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,5E)-6-chloro-4-tributylstannylhexa-3,5-dien-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-chloro-4-tributylstannylhexa-3,5-dien-2-ol?
The IUPAC name of (3E,5E)-6-chloro-4-tributylstannylhexa-3,5-dien-2-ol (CID 135046193) is (3E,5E)-6-chloro-4-tributylstannylhexa-3,5-dien-2-ol.
What is the SMILES notation for (3E,5E)-6-chloro-4-tributylstannylhexa-3,5-dien-2-ol?
The canonical SMILES for (3E,5E)-6-chloro-4-tributylstannylhexa-3,5-dien-2-ol is CCCC[Sn](CCCC)(CCCC)C(/C=C/Cl)=C/C(C)O.
What is the InChIKey of (3E,5E)-6-chloro-4-tributylstannylhexa-3,5-dien-2-ol?
The InChIKey is WMLPNCPZRASJEG-UZLSXEPSSA-N. The full InChI is InChI=1S/C6H8ClO.3C4H9.Sn/c1-6(8)4-2-3-5-7;3*1-3-4-2;/h3-6,8H,1H3;3*1,3-4H2,2H3;/b4-2?,5-3+;;;;.
What are the key properties of (3E,5E)-6-chloro-4-tributylstannylhexa-3,5-dien-2-ol?
(3E,5E)-6-chloro-4-tributylstannylhexa-3,5-dien-2-ol has a molecular weight of 421.64 g/mol, XLogP of 6.43, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-chloro-4-tributylstannylhexa-3,5-dien-2-ol is sourced from PubChem (CID 135046193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).