λ2-stannane;methyl 2,2-dibutylhexanoate

C15H32O2Sn — CID 174859558

IUPACλ2-stannane;methyl 2,2-dibutylhexanoate
SMILESCCCCC(CCCC)(CCCC)C(=O)OC.[SnH2]
InChIInChI=1S/C15H30O2.Sn.2H/c1-5-8-11-15(12-9-6-2,13-10-7-3)14(16)17-4;;;/h5-13H2,1-4H3;;;
InChIKeyPQULSYLNFFMNIA-UHFFFAOYSA-N
MW363.13 g/mol
LogP3.80
Rot. Bonds10

About λ2-stannane;methyl 2,2-dibutylhexanoate

λ2-stannane;methyl 2,2-dibutylhexanoate (PubChem CID 174859558) has the molecular formula C15H32O2Sn and a molecular weight of 363.13 g/mol. Its IUPAC name is λ2-stannane;methyl 2,2-dibutylhexanoate.

Molecular Properties

Compound Nameλ2-stannane;methyl 2,2-dibutylhexanoate
PubChem CID174859558
Molecular FormulaC15H32O2Sn
Molecular Weight363.13 g/mol
Exact Mass364.14
IUPAC Nameλ2-stannane;methyl 2,2-dibutylhexanoate
SMILESCCCCC(CCCC)(CCCC)C(=O)OC.[SnH2]
InChIInChI=1S/C15H30O2.Sn.2H/c1-5-8-11-15(12-9-6-2,13-10-7-3)14(16)17-4;;;/h5-13H2,1-4H3;;;
InChIKeyPQULSYLNFFMNIA-UHFFFAOYSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.13
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-butyl-2-(hydroxymethyl)hexanoate
CID 175319412
methyl 2-(acetyloxymethyl)-2-butylhexanoate
CID 174735113
bromo 2,2-dibutylhexanoate
CID 90814131
methyl 2-amino-2-butylhexanoate;hydrochloride
CID 162216697
methyl 5-amino-2,2-diethylpentanoate
CID 18784900
methyl 2-methoxy-2-methylhexanoate
CID 91619299
methyl (2R)-2-amino-2-methylhexanoate
CID 155453684
methyl 2-butyl-2-(dimethylamino)hexanoate
CID 598500
dimethyl 2,2-di(nonyl)propanedioate
CID 166760695
dimethyl 2-butyl-2,4,4-trimethylpentanedioate
CID 18710794
methyl 2,2-diethyl-10-hydroxydecanoate
CID 154931124
2,2-diethylhexanoic acid;λ2-stannane
CID 173193694

Frequently Asked Questions

What is the IUPAC name of λ2-stannane;methyl 2,2-dibutylhexanoate?
The IUPAC name of λ2-stannane;methyl 2,2-dibutylhexanoate (CID 174859558) is λ2-stannane;methyl 2,2-dibutylhexanoate.
What is the SMILES notation for λ2-stannane;methyl 2,2-dibutylhexanoate?
The canonical SMILES for λ2-stannane;methyl 2,2-dibutylhexanoate is CCCCC(CCCC)(CCCC)C(=O)OC.[SnH2].
What is the InChIKey of λ2-stannane;methyl 2,2-dibutylhexanoate?
The InChIKey is PQULSYLNFFMNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2.Sn.2H/c1-5-8-11-15(12-9-6-2,13-10-7-3)14(16)17-4;;;/h5-13H2,1-4H3;;;.
What are the key properties of λ2-stannane;methyl 2,2-dibutylhexanoate?
λ2-stannane;methyl 2,2-dibutylhexanoate has a molecular weight of 363.13 g/mol, XLogP of 3.80, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for λ2-stannane;methyl 2,2-dibutylhexanoate is sourced from PubChem (CID 174859558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).