1-(2-tributylstannylprop-2-enyl)cyclohex-2-en-1-ol

C21H40OSn — CID 14226849

IUPAC1-(2-tributylstannylprop-2-enyl)cyclohex-2-en-1-ol
SMILESC=C(CC1(O)C=CCCC1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C9H13O.3C4H9.Sn/c1-2-6-9(10)7-4-3-5-8-9;3*1-3-4-2;/h4,7,10H,1,3,5-6,8H2;3*1,3-4H2,2H3;
InChIKeyPAYAZEYXXWPUCO-UHFFFAOYSA-N
MW427.26 g/mol
LogP6.79
Rot. Bonds12

About 1-(2-tributylstannylprop-2-enyl)cyclohex-2-en-1-ol

1-(2-tributylstannylprop-2-enyl)cyclohex-2-en-1-ol (PubChem CID 14226849) has the molecular formula C21H40OSn and a molecular weight of 427.26 g/mol. Its IUPAC name is 1-(2-tributylstannylprop-2-enyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-(2-tributylstannylprop-2-enyl)cyclohex-2-en-1-ol
PubChem CID14226849
Molecular FormulaC21H40OSn
Molecular Weight427.26 g/mol
Exact Mass428.21
IUPAC Name1-(2-tributylstannylprop-2-enyl)cyclohex-2-en-1-ol
SMILESC=C(CC1(O)C=CCCC1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C9H13O.3C4H9.Sn/c1-2-6-9(10)7-4-3-5-8-9;3*1-3-4-2;/h4,7,10H,1,3,5-6,8H2;3*1,3-4H2,2H3;
InChIKeyPAYAZEYXXWPUCO-UHFFFAOYSA-N
XLogP6.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.26
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-tributylstannylprop-2-enyl)cyclohex-2-en-1-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 1-(2-tributylstannylprop-2-enyl)cyclohex-2-en-1-ol?
The IUPAC name of 1-(2-tributylstannylprop-2-enyl)cyclohex-2-en-1-ol (CID 14226849) is 1-(2-tributylstannylprop-2-enyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 1-(2-tributylstannylprop-2-enyl)cyclohex-2-en-1-ol?
The canonical SMILES for 1-(2-tributylstannylprop-2-enyl)cyclohex-2-en-1-ol is C=C(CC1(O)C=CCCC1)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of 1-(2-tributylstannylprop-2-enyl)cyclohex-2-en-1-ol?
The InChIKey is PAYAZEYXXWPUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O.3C4H9.Sn/c1-2-6-9(10)7-4-3-5-8-9;3*1-3-4-2;/h4,7,10H,1,3,5-6,8H2;3*1,3-4H2,2H3;.
What are the key properties of 1-(2-tributylstannylprop-2-enyl)cyclohex-2-en-1-ol?
1-(2-tributylstannylprop-2-enyl)cyclohex-2-en-1-ol has a molecular weight of 427.26 g/mol, XLogP of 6.79, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tributylstannylprop-2-enyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 14226849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).