λ2-stannane;2-propylhexanoic acid

C9H20O2Sn — CID 174232814

IUPACλ2-stannane;2-propylhexanoic acid
SMILESCCCCC(CCC)C(=O)O.[SnH2]
InChIInChI=1S/C9H18O2.Sn.2H/c1-3-5-7-8(6-4-2)9(10)11;;;/h8H,3-7H2,1-2H3,(H,10,11);;;
InChIKeyJIYMMLNNHXXDPI-UHFFFAOYSA-N
MW278.97 g/mol
LogP1.76
Rot. Bonds6

About λ2-stannane;2-propylhexanoic acid

λ2-stannane;2-propylhexanoic acid (PubChem CID 174232814) has the molecular formula C9H20O2Sn and a molecular weight of 278.97 g/mol. Its IUPAC name is λ2-stannane;2-propylhexanoic acid.

Molecular Properties

Compound Nameλ2-stannane;2-propylhexanoic acid
PubChem CID174232814
Molecular FormulaC9H20O2Sn
Molecular Weight278.97 g/mol
Exact Mass280.05
IUPAC Nameλ2-stannane;2-propylhexanoic acid
SMILESCCCCC(CCC)C(=O)O.[SnH2]
InChIInChI=1S/C9H18O2.Sn.2H/c1-3-5-7-8(6-4-2)9(10)11;;;/h8H,3-7H2,1-2H3,(H,10,11);;;
InChIKeyJIYMMLNNHXXDPI-UHFFFAOYSA-N
XLogP1.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.97
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze λ2-stannane;2-propylhexanoic acid 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

phosphane;2-propylhexanoic acid
CID 87429538
CID 87702087
CID 87702087
2-propylhexadecanoic acid
CID 10040360
2-propylheptadecanoic acid
CID 22251985
azane;2,7-dibutyloctanedioic acid
CID 174821009
(2S)-2-butyldecanoic acid
CID 98176194
2-ethyl-6-propylheptanedioic acid
CID 154140899
2-pentyldodecanoic acid
CID 18521426
2-undecylhexadecanoic acid
CID 139670823
2-nonylpentadecanoic acid
CID 139605044
2-heptadecylicosanoic acid
CID 57459073
2-nonyldodecanoic acid
CID 57283654

Frequently Asked Questions

What is the IUPAC name of λ2-stannane;2-propylhexanoic acid?
The IUPAC name of λ2-stannane;2-propylhexanoic acid (CID 174232814) is λ2-stannane;2-propylhexanoic acid.
What is the SMILES notation for λ2-stannane;2-propylhexanoic acid?
The canonical SMILES for λ2-stannane;2-propylhexanoic acid is CCCCC(CCC)C(=O)O.[SnH2].
What is the InChIKey of λ2-stannane;2-propylhexanoic acid?
The InChIKey is JIYMMLNNHXXDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2.Sn.2H/c1-3-5-7-8(6-4-2)9(10)11;;;/h8H,3-7H2,1-2H3,(H,10,11);;;.
What are the key properties of λ2-stannane;2-propylhexanoic acid?
λ2-stannane;2-propylhexanoic acid has a molecular weight of 278.97 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for λ2-stannane;2-propylhexanoic acid is sourced from PubChem (CID 174232814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).