lithium;dodecyl sulfite;hydride

C12H26LiO3S- — CID 174417370

IUPAClithium;dodecyl sulfite;hydride
SMILESCCCCCCCCCCCCOS(=O)[O-].[H-].[Li+]
InChIInChI=1S/C12H26O3S.Li.H/c1-2-3-4-5-6-7-8-9-10-11-12-15-16(13)14;;/h2-12H2,1H3,(H,13,14);;/q;+1;-1/p-1
InChIKeyVHPALPVQMSORBJ-UHFFFAOYSA-M
MW257.34 g/mol
LogP0.83
Rot. Bonds12

About lithium;dodecyl sulfite;hydride

lithium;dodecyl sulfite;hydride (PubChem CID 174417370) has the molecular formula C12H26LiO3S- and a molecular weight of 257.34 g/mol. Its IUPAC name is lithium;dodecyl sulfite;hydride.

Molecular Properties

Compound Namelithium;dodecyl sulfite;hydride
PubChem CID174417370
Molecular FormulaC12H26LiO3S-
Molecular Weight257.34 g/mol
Exact Mass257.18
IUPAC Namelithium;dodecyl sulfite;hydride
SMILESCCCCCCCCCCCCOS(=O)[O-].[H-].[Li+]
InChIInChI=1S/C12H26O3S.Li.H/c1-2-3-4-5-6-7-8-9-10-11-12-15-16(13)14;;/h2-12H2,1H3,(H,13,14);;/q;+1;-1/p-1
InChIKeyVHPALPVQMSORBJ-UHFFFAOYSA-M
XLogP0.83
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium;hydride;octyl sulfite
CID 174439661
methane;octyl sulfite
CID 159287523
sodium;acetonitrile;heptyl sulfite;hydride
CID 174796778
pentadecyl pentyl sulfite
CID 6421054
pentyl undecyl sulfite
CID 6421050
lithium;octane;sulfite
CID 122668940
butyl tetradecyl sulfite
CID 6420804
5-aminopentyl sulfite
CID 57200749
sodium;1-dodecoxydodecane;sulfite
CID 89262454
nonadecyl hydrogen sulfite
CID 57310669
heptadecyl hydrogen sulfite
CID 57062838
3-(3-hexyl-2H-imidazol-1-yl)propyl sulfite
CID 174671432

Frequently Asked Questions

What is the IUPAC name of lithium;dodecyl sulfite;hydride?
The IUPAC name of lithium;dodecyl sulfite;hydride (CID 174417370) is lithium;dodecyl sulfite;hydride.
What is the SMILES notation for lithium;dodecyl sulfite;hydride?
The canonical SMILES for lithium;dodecyl sulfite;hydride is CCCCCCCCCCCCOS(=O)[O-].[H-].[Li+].
What is the InChIKey of lithium;dodecyl sulfite;hydride?
The InChIKey is VHPALPVQMSORBJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H26O3S.Li.H/c1-2-3-4-5-6-7-8-9-10-11-12-15-16(13)14;;/h2-12H2,1H3,(H,13,14);;/q;+1;-1/p-1.
What are the key properties of lithium;dodecyl sulfite;hydride?
lithium;dodecyl sulfite;hydride has a molecular weight of 257.34 g/mol, XLogP of 0.83, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;dodecyl sulfite;hydride is sourced from PubChem (CID 174417370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).