1,1-dibutyl-4H-stannin-4-ol

C13H24OSn — CID 71441295

IUPAC1,1-dibutyl-4H-stannin-4-ol
SMILESCCCC[Sn]1(CCCC)C=CC(O)C=C1
InChIInChI=1S/C5H6O.2C4H9.Sn/c1-3-5(6)4-2;2*1-3-4-2;/h1-6H;2*1,3-4H2,2H3;
InChIKeyHCJZLOPNZNRDGT-UHFFFAOYSA-N
MW315.05 g/mol
LogP3.60
Rot. Bonds6

About 1,1-dibutyl-4H-stannin-4-ol

1,1-dibutyl-4H-stannin-4-ol (PubChem CID 71441295) has the molecular formula C13H24OSn and a molecular weight of 315.05 g/mol. Its IUPAC name is 1,1-dibutyl-4H-stannin-4-ol.

Molecular Properties

Compound Name1,1-dibutyl-4H-stannin-4-ol
PubChem CID71441295
Molecular FormulaC13H24OSn
Molecular Weight315.05 g/mol
Exact Mass316.08
IUPAC Name1,1-dibutyl-4H-stannin-4-ol
SMILESCCCC[Sn]1(CCCC)C=CC(O)C=C1
InChIInChI=1S/C5H6O.2C4H9.Sn/c1-3-5(6)4-2;2*1-3-4-2;/h1-6H;2*1,3-4H2,2H3;
InChIKeyHCJZLOPNZNRDGT-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.05
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1-dibutyl-4H-stannin-4-ol 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

1,1-dibutyl-4-tert-butylstannin-4-ol
CID 71392264
(1R,6R)-6-butylcycloocta-2,4,7-trien-1-ol
CID 71416520
(1R,2R)-2-butylcyclohex-3-en-1-ol
CID 11205888
cis-(1R,2R)-2-butylcyclopropan-1-ol
CID 14453673
cis-(1S,2S)-2-butylcyclopropan-1-ol
CID 14453674
4-butylcyclopent-2-en-1-ol
CID 13414982
(1S,2R,3R,4S,5S,6R)-3,4,5,6-tetrabutoxycyclohexane-1,2-diol
CID 70406349
(1R,2R)-2-hex-1-ynylcyclopent-3-en-1-ol
CID 14571586
(3S)-3-nonylcyclopentene
CID 90814175
2,2-dibutyl-4,7-dihydro-1,3,2-dioxastannepine
CID 16703205
2-nonylcyclopentane-1,3-diol
CID 163304158
3,4,5,6-tetrabutylcyclohexene
CID 21497713

Frequently Asked Questions

What is the IUPAC name of 1,1-dibutyl-4H-stannin-4-ol?
The IUPAC name of 1,1-dibutyl-4H-stannin-4-ol (CID 71441295) is 1,1-dibutyl-4H-stannin-4-ol.
What is the SMILES notation for 1,1-dibutyl-4H-stannin-4-ol?
The canonical SMILES for 1,1-dibutyl-4H-stannin-4-ol is CCCC[Sn]1(CCCC)C=CC(O)C=C1.
What is the InChIKey of 1,1-dibutyl-4H-stannin-4-ol?
The InChIKey is HCJZLOPNZNRDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O.2C4H9.Sn/c1-3-5(6)4-2;2*1-3-4-2;/h1-6H;2*1,3-4H2,2H3;.
What are the key properties of 1,1-dibutyl-4H-stannin-4-ol?
1,1-dibutyl-4H-stannin-4-ol has a molecular weight of 315.05 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutyl-4H-stannin-4-ol is sourced from PubChem (CID 71441295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).