butyl octadecanoate;stannane

C22H48O2Sn — CID 173304092

IUPACbutyl octadecanoate;stannane
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCCC.[SnH4]
InChIInChI=1S/C22H44O2.Sn.4H/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2;;;;;/h3-21H2,1-2H3;;;;;
InChIKeyUJFDAALXOABZRV-UHFFFAOYSA-N
MW463.34 g/mol
LogP6.14
Rot. Bonds19

About butyl octadecanoate;stannane

butyl octadecanoate;stannane (PubChem CID 173304092) has the molecular formula C22H48O2Sn and a molecular weight of 463.34 g/mol. Its IUPAC name is butyl octadecanoate;stannane.

Molecular Properties

Compound Namebutyl octadecanoate;stannane
PubChem CID173304092
Molecular FormulaC22H48O2Sn
Molecular Weight463.34 g/mol
Exact Mass464.27
IUPAC Namebutyl octadecanoate;stannane
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCCC.[SnH4]
InChIInChI=1S/C22H44O2.Sn.4H/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2;;;;;/h3-21H2,1-2H3;;;;;
InChIKeyUJFDAALXOABZRV-UHFFFAOYSA-N
XLogP6.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.34
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze butyl octadecanoate;stannane 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

butyl dodecanoate;stannane
CID 173127459
butyl nonadecanoate
CID 3015296
butyl pentacosanoate
CID 54548273
1-O-butyl 7-O-dodecyl heptanedioate
CID 91732656
butyl octadecanoate;octyl hexadecanoate
CID 175006742
1-O-butyl 6-O-decyl hexanedioate
CID 3018277
1-O-butyl 7-O-nonyl heptanedioate
CID 91732654
dibutyl heptadecanedioate
CID 87117348
dipentyl pentadecanedioate
CID 87116442
8-undecanoyloxyoctyl undecanoate
CID 90370349
octacosyl octacosanoate
CID 71369196
14-O-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate
CID 102181695

Frequently Asked Questions

What is the IUPAC name of butyl octadecanoate;stannane?
The IUPAC name of butyl octadecanoate;stannane (CID 173304092) is butyl octadecanoate;stannane.
What is the SMILES notation for butyl octadecanoate;stannane?
The canonical SMILES for butyl octadecanoate;stannane is CCCCCCCCCCCCCCCCCC(=O)OCCCC.[SnH4].
What is the InChIKey of butyl octadecanoate;stannane?
The InChIKey is UJFDAALXOABZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O2.Sn.4H/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2;;;;;/h3-21H2,1-2H3;;;;;.
What are the key properties of butyl octadecanoate;stannane?
butyl octadecanoate;stannane has a molecular weight of 463.34 g/mol, XLogP of 6.14, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl octadecanoate;stannane is sourced from PubChem (CID 173304092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).