[(4E)-3-ethenyl-1-(hydroxymethyl)-4-(tributylstannylmethylidene)cyclopentyl]methanol

C22H42O2Sn — CID 15525049

IUPAC[(4E)-3-ethenyl-1-(hydroxymethyl)-4-(tributylstannylmethylidene)cyclopentyl]methanol
SMILESC=CC1CC(CO)(CO)C/C1=C\[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C10H15O2.3C4H9.Sn/c1-3-9-5-10(6-11,7-12)4-8(9)2;3*1-3-4-2;/h2-3,9,11-12H,1,4-7H2;3*1,3-4H2,2H3;
InChIKeyPOWDVNNOXRNJMD-UHFFFAOYSA-N
MW457.29 g/mol
LogP5.87
Rot. Bonds13

About [(4E)-3-ethenyl-1-(hydroxymethyl)-4-(tributylstannylmethylidene)cyclopentyl]methanol

[(4E)-3-ethenyl-1-(hydroxymethyl)-4-(tributylstannylmethylidene)cyclopentyl]methanol (PubChem CID 15525049) has the molecular formula C22H42O2Sn and a molecular weight of 457.29 g/mol. Its IUPAC name is [(4E)-3-ethenyl-1-(hydroxymethyl)-4-(tributylstannylmethylidene)cyclopentyl]methanol.

Molecular Properties

Compound Name[(4E)-3-ethenyl-1-(hydroxymethyl)-4-(tributylstannylmethylidene)cyclopentyl]methanol
PubChem CID15525049
Molecular FormulaC22H42O2Sn
Molecular Weight457.29 g/mol
Exact Mass458.22
IUPAC Name[(4E)-3-ethenyl-1-(hydroxymethyl)-4-(tributylstannylmethylidene)cyclopentyl]methanol
SMILESC=CC1CC(CO)(CO)C/C1=C\[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C10H15O2.3C4H9.Sn/c1-3-9-5-10(6-11,7-12)4-8(9)2;3*1-3-4-2;/h2-3,9,11-12H,1,4-7H2;3*1,3-4H2,2H3;
InChIKeyPOWDVNNOXRNJMD-UHFFFAOYSA-N
XLogP5.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.29
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(Hydroxymethyl)-3-methyl-4-methylidenecyclopentyl]methanol
CID 24881495
[(4Z)-1-(hydroxymethyl)-3-(tributylstannylmethyl)-4-(trimethylsilylmethylidene)cyclopentyl]methanol
CID 164686162
[(3R)-1-(hydroxymethyl)-3-methyl-4-methylidenecyclopentyl]methanol
CID 176427685
[(4Z)-1-(hydroxymethyl)-3-methylidene-4-(tributylstannylmethylidene)cyclopentyl]methanol
CID 10623104
[3-Ethenyl-1-(hydroxymethyl)-4-methylidenecyclopentyl]methanol
CID 101195725

Frequently Asked Questions

What is the IUPAC name of [(4E)-3-ethenyl-1-(hydroxymethyl)-4-(tributylstannylmethylidene)cyclopentyl]methanol?
The IUPAC name of [(4E)-3-ethenyl-1-(hydroxymethyl)-4-(tributylstannylmethylidene)cyclopentyl]methanol (CID 15525049) is [(4E)-3-ethenyl-1-(hydroxymethyl)-4-(tributylstannylmethylidene)cyclopentyl]methanol.
What is the SMILES notation for [(4E)-3-ethenyl-1-(hydroxymethyl)-4-(tributylstannylmethylidene)cyclopentyl]methanol?
The canonical SMILES for [(4E)-3-ethenyl-1-(hydroxymethyl)-4-(tributylstannylmethylidene)cyclopentyl]methanol is C=CC1CC(CO)(CO)C/C1=C\[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of [(4E)-3-ethenyl-1-(hydroxymethyl)-4-(tributylstannylmethylidene)cyclopentyl]methanol?
The InChIKey is POWDVNNOXRNJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O2.3C4H9.Sn/c1-3-9-5-10(6-11,7-12)4-8(9)2;3*1-3-4-2;/h2-3,9,11-12H,1,4-7H2;3*1,3-4H2,2H3;.
What are the key properties of [(4E)-3-ethenyl-1-(hydroxymethyl)-4-(tributylstannylmethylidene)cyclopentyl]methanol?
[(4E)-3-ethenyl-1-(hydroxymethyl)-4-(tributylstannylmethylidene)cyclopentyl]methanol has a molecular weight of 457.29 g/mol, XLogP of 5.87, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-3-ethenyl-1-(hydroxymethyl)-4-(tributylstannylmethylidene)cyclopentyl]methanol is sourced from PubChem (CID 15525049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).