sodium;hydride;1-nonylnaphthalene;sulfuric acid

C19H29NaO4S — CID 173181900

IUPACsodium;hydride;1-nonylnaphthalene;sulfuric acid
SMILESCCCCCCCCCc1cccc2ccccc12.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C19H26.Na.H2O4S.H/c1-2-3-4-5-6-7-8-12-17-14-11-15-18-13-9-10-16-19(17)18;;1-5(2,3)4;/h9-11,13-16H,2-8,12H2,1H3;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyIEVXTLPPANYUTP-UHFFFAOYSA-N
MW376.49 g/mol
LogP2.60
Rot. Bonds8

About sodium;hydride;1-nonylnaphthalene;sulfuric acid

sodium;hydride;1-nonylnaphthalene;sulfuric acid (PubChem CID 173181900) has the molecular formula C19H29NaO4S and a molecular weight of 376.49 g/mol. Its IUPAC name is sodium;hydride;1-nonylnaphthalene;sulfuric acid.

Molecular Properties

Compound Namesodium;hydride;1-nonylnaphthalene;sulfuric acid
PubChem CID173181900
Molecular FormulaC19H29NaO4S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC Namesodium;hydride;1-nonylnaphthalene;sulfuric acid
SMILESCCCCCCCCCc1cccc2ccccc12.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C19H26.Na.H2O4S.H/c1-2-3-4-5-6-7-8-12-17-14-11-15-18-13-9-10-16-19(17)18;;1-5(2,3)4;/h9-11,13-16H,2-8,12H2,1H3;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyIEVXTLPPANYUTP-UHFFFAOYSA-N
XLogP2.60
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-octadecylnaphthalene;sulfuric acid
CID 172709808
1-nonylnaphthalene;sulfuric acid
CID 172712573
1-nonylnaphthalene;sulfuric acid
CID 154996092
1-pentylnaphthalene;sulfuric acid
CID 172842201
potassium;hydride;1-octylnaphthalene
CID 173443599
1-tetradecylnaphthalene
CID 14402128
lithium;1-hexylanthracene;hydride
CID 174350658
3,8-didodecylnaphthalene-2-sulfonic acid
CID 101319611
1,2-di(pentadecyl)naphthalene;sulfuric acid
CID 172768972
5-hexylnaphthalene-2-sulfonic acid
CID 101315022
3,5-dihexylnaphthalene-2-sulfonic acid
CID 101319397
8-decylnaphthalene-2-sulfonic acid
CID 101315066

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;1-nonylnaphthalene;sulfuric acid?
The IUPAC name of sodium;hydride;1-nonylnaphthalene;sulfuric acid (CID 173181900) is sodium;hydride;1-nonylnaphthalene;sulfuric acid.
What is the SMILES notation for sodium;hydride;1-nonylnaphthalene;sulfuric acid?
The canonical SMILES for sodium;hydride;1-nonylnaphthalene;sulfuric acid is CCCCCCCCCc1cccc2ccccc12.O=S(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;1-nonylnaphthalene;sulfuric acid?
The InChIKey is IEVXTLPPANYUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26.Na.H2O4S.H/c1-2-3-4-5-6-7-8-12-17-14-11-15-18-13-9-10-16-19(17)18;;1-5(2,3)4;/h9-11,13-16H,2-8,12H2,1H3;;(H2,1,2,3,4);/q;+1;;-1.
What are the key properties of sodium;hydride;1-nonylnaphthalene;sulfuric acid?
sodium;hydride;1-nonylnaphthalene;sulfuric acid has a molecular weight of 376.49 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;1-nonylnaphthalene;sulfuric acid is sourced from PubChem (CID 173181900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).