2-ethyl-2,5-dimethylhexanoic acid;λ2-stannane

C10H22O2Sn — CID 173040977

IUPAC2-ethyl-2,5-dimethylhexanoic acid;λ2-stannane
SMILESCCC(C)(CCC(C)C)C(=O)O.[SnH2]
InChIInChI=1S/C10H20O2.Sn.2H/c1-5-10(4,9(11)12)7-6-8(2)3;;;/h8H,5-7H2,1-4H3,(H,11,12);;;
InChIKeyQNDJBRHAMYIUGF-UHFFFAOYSA-N
MW293.00 g/mol
LogP2.01
Rot. Bonds5

About 2-ethyl-2,5-dimethylhexanoic acid;λ2-stannane

2-ethyl-2,5-dimethylhexanoic acid;λ2-stannane (PubChem CID 173040977) has the molecular formula C10H22O2Sn and a molecular weight of 293.00 g/mol. Its IUPAC name is 2-ethyl-2,5-dimethylhexanoic acid;λ2-stannane.

Molecular Properties

Compound Name2-ethyl-2,5-dimethylhexanoic acid;λ2-stannane
PubChem CID173040977
Molecular FormulaC10H22O2Sn
Molecular Weight293.00 g/mol
Exact Mass294.06
IUPAC Name2-ethyl-2,5-dimethylhexanoic acid;λ2-stannane
SMILESCCC(C)(CCC(C)C)C(=O)O.[SnH2]
InChIInChI=1S/C10H20O2.Sn.2H/c1-5-10(4,9(11)12)7-6-8(2)3;;;/h8H,5-7H2,1-4H3,(H,11,12);;;
InChIKeyQNDJBRHAMYIUGF-UHFFFAOYSA-N
XLogP2.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.00
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cobalt(2+);bis(2-ethyl-2,5-dimethylhexanoate)
CID 22833328
2-[[bis(3-methylbutyl)amino]methyl]-2-methylbutanoic acid
CID 107871175
2-ethyl-2-methyl-4-(2-methylpropoxy)butanoic acid
CID 106454883
2,3-dihydroxypropyl 2-ethyl-2,5-dimethylhexanoate
CID 151891886
2-ethyl-2,7,7-trimethyloctanoic acid
CID 139673893
2-ethyl-2-(3-methylbutyl)propanedioyl dichloride
CID 22147568
2-ethoxy-2,5-dimethylhexanoic acid
CID 78969490
(2S)-2-ethyl-2,4,6-trimethylheptanoic acid;2-methylpropane
CID 178133333
(2S)-2-(hydroxymethyl)-2-methylbutanoic acid
CID 124539750
2-butyl-2-ethyl-5-methylhexanoic acid
CID 63402909
2-ethyl-2-methyl-4-methylsulfonylbutanoic acid
CID 62740267
2-ethyl-2,5-dimethyl-8-(2-methyl-1,3-dioxolan-2-yl)octanoic acid
CID 70994716

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,5-dimethylhexanoic acid;λ2-stannane?
The IUPAC name of 2-ethyl-2,5-dimethylhexanoic acid;λ2-stannane (CID 173040977) is 2-ethyl-2,5-dimethylhexanoic acid;λ2-stannane.
What is the SMILES notation for 2-ethyl-2,5-dimethylhexanoic acid;λ2-stannane?
The canonical SMILES for 2-ethyl-2,5-dimethylhexanoic acid;λ2-stannane is CCC(C)(CCC(C)C)C(=O)O.[SnH2].
What is the InChIKey of 2-ethyl-2,5-dimethylhexanoic acid;λ2-stannane?
The InChIKey is QNDJBRHAMYIUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.Sn.2H/c1-5-10(4,9(11)12)7-6-8(2)3;;;/h8H,5-7H2,1-4H3,(H,11,12);;;.
What are the key properties of 2-ethyl-2,5-dimethylhexanoic acid;λ2-stannane?
2-ethyl-2,5-dimethylhexanoic acid;λ2-stannane has a molecular weight of 293.00 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,5-dimethylhexanoic acid;λ2-stannane is sourced from PubChem (CID 173040977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).