sodium;hex-5-enyl sulfite;hydride

C6H12NaO3S- — CID 174851694

IUPACsodium;hex-5-enyl sulfite;hydride
SMILESC=CCCCCOS(=O)[O-].[H-].[Na+]
InChIInChI=1S/C6H12O3S.Na.H/c1-2-3-4-5-6-9-10(7)8;;/h2H,1,3-6H2,(H,7,8);;/q;+1;-1/p-1
InChIKeyADAFLXZUUCRMEN-UHFFFAOYSA-M
MW187.22 g/mol
LogP-1.73
Rot. Bonds6

About sodium;hex-5-enyl sulfite;hydride

sodium;hex-5-enyl sulfite;hydride (PubChem CID 174851694) has the molecular formula C6H12NaO3S- and a molecular weight of 187.22 g/mol. Its IUPAC name is sodium;hex-5-enyl sulfite;hydride.

Molecular Properties

Compound Namesodium;hex-5-enyl sulfite;hydride
PubChem CID174851694
Molecular FormulaC6H12NaO3S-
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Namesodium;hex-5-enyl sulfite;hydride
SMILESC=CCCCCOS(=O)[O-].[H-].[Na+]
InChIInChI=1S/C6H12O3S.Na.H/c1-2-3-4-5-6-9-10(7)8;;/h2H,1,3-6H2,(H,7,8);;/q;+1;-1/p-1
InChIKeyADAFLXZUUCRMEN-UHFFFAOYSA-M
XLogP-1.73
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-1.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylmethanamine;pent-4-enyl sulfite
CID 174898372
potassium;hydride;octyl sulfite
CID 174439661
2-ethenoxyethyl sulfite
CID 174365194
5-aminopentyl sulfite
CID 57200749
3-oxopent-4-enyl sulfite
CID 91149708
12-dodec-11-enoxydodec-1-ene
CID 87325659
potassium 3-chloropropyl sulfite
CID 174658395
potassium 3-fluoropropyl sulfite
CID 174672463
4-(1-oxopropan-2-yloxy)butyl sulfite
CID 175026692
bis(ethane-1,2-diol);2-hydroxyethyl sulfite
CID 174827171
hex-5-enoxysilane
CID 123933799
undec-10-enyl nitrate
CID 139910377

Frequently Asked Questions

What is the IUPAC name of sodium;hex-5-enyl sulfite;hydride?
The IUPAC name of sodium;hex-5-enyl sulfite;hydride (CID 174851694) is sodium;hex-5-enyl sulfite;hydride.
What is the SMILES notation for sodium;hex-5-enyl sulfite;hydride?
The canonical SMILES for sodium;hex-5-enyl sulfite;hydride is C=CCCCCOS(=O)[O-].[H-].[Na+].
What is the InChIKey of sodium;hex-5-enyl sulfite;hydride?
The InChIKey is ADAFLXZUUCRMEN-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12O3S.Na.H/c1-2-3-4-5-6-9-10(7)8;;/h2H,1,3-6H2,(H,7,8);;/q;+1;-1/p-1.
What are the key properties of sodium;hex-5-enyl sulfite;hydride?
sodium;hex-5-enyl sulfite;hydride has a molecular weight of 187.22 g/mol, XLogP of -1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hex-5-enyl sulfite;hydride is sourced from PubChem (CID 174851694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).