[(4Z)-1-(hydroxymethyl)-3-methylidene-4-(tributylstannylmethylidene)cyclopentyl]methanol

C21H40O2Sn — CID 10623104

IUPAC[(4Z)-1-(hydroxymethyl)-3-methylidene-4-(tributylstannylmethylidene)cyclopentyl]methanol
SMILESC=C1CC(CO)(CO)C/C1=C/[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C9H13O2.3C4H9.Sn/c1-7-3-9(5-10,6-11)4-8(7)2;3*1-3-4-2;/h1,10-11H,2-6H2;3*1,3-4H2,2H3;
InChIKeyBUCBNPJATXRINQ-UHFFFAOYSA-N
MW443.26 g/mol
LogP5.62
Rot. Bonds12

About [(4Z)-1-(hydroxymethyl)-3-methylidene-4-(tributylstannylmethylidene)cyclopentyl]methanol

[(4Z)-1-(hydroxymethyl)-3-methylidene-4-(tributylstannylmethylidene)cyclopentyl]methanol (PubChem CID 10623104) has the molecular formula C21H40O2Sn and a molecular weight of 443.26 g/mol. Its IUPAC name is [(4Z)-1-(hydroxymethyl)-3-methylidene-4-(tributylstannylmethylidene)cyclopentyl]methanol.

Molecular Properties

Compound Name[(4Z)-1-(hydroxymethyl)-3-methylidene-4-(tributylstannylmethylidene)cyclopentyl]methanol
PubChem CID10623104
Molecular FormulaC21H40O2Sn
Molecular Weight443.26 g/mol
Exact Mass444.21
IUPAC Name[(4Z)-1-(hydroxymethyl)-3-methylidene-4-(tributylstannylmethylidene)cyclopentyl]methanol
SMILESC=C1CC(CO)(CO)C/C1=C/[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C9H13O2.3C4H9.Sn/c1-7-3-9(5-10,6-11)4-8(7)2;3*1-3-4-2;/h1,10-11H,2-6H2;3*1,3-4H2,2H3;
InChIKeyBUCBNPJATXRINQ-UHFFFAOYSA-N
XLogP5.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.26
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(4Z)-1-(hydroxymethyl)-3-methylidene-4-(tributylstannylmethylidene)cyclopentyl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

[1-(Hydroxymethyl)-3-methyl-4-methylidenecyclopentyl]methanol
CID 24881495
[(3R)-1-(hydroxymethyl)-3-methyl-4-methylidenecyclopentyl]methanol
CID 176427685
2-Ethyl-2-(2-methylprop-2-enyl)propane-1,3-diol
CID 18398645
2-Methyl-2-(3-methylbut-3-enyl)propane-1,3-diol
CID 57243047
2-Methyl-2-(2-methylidenebutyl)propane-1,3-diol
CID 10630779
(1-Methyl-3-methylenecyclopentyl)methanol
CID 13978853
[(4E)-3-ethenyl-1-(hydroxymethyl)-4-(tributylstannylmethylidene)cyclopentyl]methanol
CID 15525049
[1-(Hydroxymethyl)-2-methylidenecyclopentyl]methanol
CID 130130390

Frequently Asked Questions

What is the IUPAC name of [(4Z)-1-(hydroxymethyl)-3-methylidene-4-(tributylstannylmethylidene)cyclopentyl]methanol?
The IUPAC name of [(4Z)-1-(hydroxymethyl)-3-methylidene-4-(tributylstannylmethylidene)cyclopentyl]methanol (CID 10623104) is [(4Z)-1-(hydroxymethyl)-3-methylidene-4-(tributylstannylmethylidene)cyclopentyl]methanol.
What is the SMILES notation for [(4Z)-1-(hydroxymethyl)-3-methylidene-4-(tributylstannylmethylidene)cyclopentyl]methanol?
The canonical SMILES for [(4Z)-1-(hydroxymethyl)-3-methylidene-4-(tributylstannylmethylidene)cyclopentyl]methanol is C=C1CC(CO)(CO)C/C1=C/[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of [(4Z)-1-(hydroxymethyl)-3-methylidene-4-(tributylstannylmethylidene)cyclopentyl]methanol?
The InChIKey is BUCBNPJATXRINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O2.3C4H9.Sn/c1-7-3-9(5-10,6-11)4-8(7)2;3*1-3-4-2;/h1,10-11H,2-6H2;3*1,3-4H2,2H3;.
What are the key properties of [(4Z)-1-(hydroxymethyl)-3-methylidene-4-(tributylstannylmethylidene)cyclopentyl]methanol?
[(4Z)-1-(hydroxymethyl)-3-methylidene-4-(tributylstannylmethylidene)cyclopentyl]methanol has a molecular weight of 443.26 g/mol, XLogP of 5.62, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-1-(hydroxymethyl)-3-methylidene-4-(tributylstannylmethylidene)cyclopentyl]methanol is sourced from PubChem (CID 10623104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).