2-ethylhexyl sulfite;λ2-plumbane

C8H19O3PbS- — CID 174562769

IUPAC2-ethylhexyl sulfite;λ2-plumbane
SMILESCCCCC(CC)COS(=O)[O-].[PbH2]
InChIInChI=1S/C8H18O3S.Pb.2H/c1-3-5-6-8(4-2)7-11-12(9)10;;;/h8H,3-7H2,1-2H3,(H,9,10);;;/p-1
InChIKeyIDXGXXUWULXGAU-UHFFFAOYSA-M
MW402.50 g/mol
LogP1.10
Rot. Bonds7

About 2-ethylhexyl sulfite;λ2-plumbane

2-ethylhexyl sulfite;λ2-plumbane (PubChem CID 174562769) has the molecular formula C8H19O3PbS- and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-ethylhexyl sulfite;λ2-plumbane.

Molecular Properties

Compound Name2-ethylhexyl sulfite;λ2-plumbane
PubChem CID174562769
Molecular FormulaC8H19O3PbS-
Molecular Weight402.50 g/mol
Exact Mass403.08
IUPAC Name2-ethylhexyl sulfite;λ2-plumbane
SMILESCCCCC(CC)COS(=O)[O-].[PbH2]
InChIInChI=1S/C8H18O3S.Pb.2H/c1-3-5-6-8(4-2)7-11-12(9)10;;;/h8H,3-7H2,1-2H3,(H,9,10);;;/p-1
InChIKeyIDXGXXUWULXGAU-UHFFFAOYSA-M
XLogP1.10
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium 2-ethylhexyl sulfite
CID 174977915
sodium;2-ethylhexyl sulfite;hydride
CID 174362905
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
2-ethylhexyl 4-methylbenzenesulfinate
CID 132580944
disilver;2-(2-ethylhexoxyimino)propanedioate
CID 118523475
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
[(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium
CID 93476742
bis(2-ethylhexyl) phosphate;cobalt
CID 174438001
tris(bis(2-ethylhexyl) phosphate);lanthanum(3+)
CID 18461867
magnesium bis(2-ethylhexyl) phosphate
CID 23071492
sodium 1-(2-butylhexoxy)-4-(2-ethylhexoxy)-1,4-dioxobutane-2-sulfinate
CID 59079319
[(2S)-2-ethylhexyl] bis[(2R)-2-ethylhexyl] borate
CID 99771036

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl sulfite;λ2-plumbane?
The IUPAC name of 2-ethylhexyl sulfite;λ2-plumbane (CID 174562769) is 2-ethylhexyl sulfite;λ2-plumbane.
What is the SMILES notation for 2-ethylhexyl sulfite;λ2-plumbane?
The canonical SMILES for 2-ethylhexyl sulfite;λ2-plumbane is CCCCC(CC)COS(=O)[O-].[PbH2].
What is the InChIKey of 2-ethylhexyl sulfite;λ2-plumbane?
The InChIKey is IDXGXXUWULXGAU-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18O3S.Pb.2H/c1-3-5-6-8(4-2)7-11-12(9)10;;;/h8H,3-7H2,1-2H3,(H,9,10);;;/p-1.
What are the key properties of 2-ethylhexyl sulfite;λ2-plumbane?
2-ethylhexyl sulfite;λ2-plumbane has a molecular weight of 402.50 g/mol, XLogP of 1.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl sulfite;λ2-plumbane is sourced from PubChem (CID 174562769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).