10-nonoxydec-7-ene-1-sulfonic acid

C19H38O4S — CID 74380555

IUPAC10-nonoxydec-7-ene-1-sulfonic acid
SMILESCCCCCCCCCOCCC=CCCCCCCS(=O)(=O)O
InChIInChI=1S/C19H38O4S/c1-2-3-4-5-8-11-14-17-23-18-15-12-9-6-7-10-13-16-19-24(20,21)22/h9,12H,2-8,10-11,13-19H2,1H3,(H,20,21,22)
InChIKeyLNECGHDTFCZRLC-UHFFFAOYSA-N
MW362.58 g/mol
LogP5.54
Rot. Bonds18

About 10-nonoxydec-7-ene-1-sulfonic acid

10-nonoxydec-7-ene-1-sulfonic acid (PubChem CID 74380555) has the molecular formula C19H38O4S and a molecular weight of 362.58 g/mol. Its IUPAC name is 10-nonoxydec-7-ene-1-sulfonic acid.

Molecular Properties

Compound Name10-nonoxydec-7-ene-1-sulfonic acid
PubChem CID74380555
Molecular FormulaC19H38O4S
Molecular Weight362.58 g/mol
Exact Mass362.25
IUPAC Name10-nonoxydec-7-ene-1-sulfonic acid
SMILESCCCCCCCCCOCCC=CCCCCCCS(=O)(=O)O
InChIInChI=1S/C19H38O4S/c1-2-3-4-5-8-11-14-17-23-18-15-12-9-6-7-10-13-16-19-24(20,21)22/h9,12H,2-8,10-11,13-19H2,1H3,(H,20,21,22)
InChIKeyLNECGHDTFCZRLC-UHFFFAOYSA-N
XLogP5.54
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.58
LogP ≤ 55.54
H-Bond Donors ≤ 51
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': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;(Z)-octadec-9-ene-1-sulfonic acid
CID 173328346
hexadec-4-ene-1-sulfonic acid
CID 54039350
3-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane-1-sulfonic acid
CID 59638865
tetradec-3-ene-1-sulfonic acid
CID 54404053
2-octadec-9-enoxyethyl hydrogen sulfate
CID 73000898
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-docosoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanesulfonic acid
CID 175793636
(Z)-1-butoxyheptadec-8-ene
CID 87205101
1-undec-4-enoxyundec-4-ene
CID 91358832
decane-1-sulfonic acid
CID 157391186
4-undec-10-enoxybutane-1-sulfonic acid
CID 151809612
2-[(Z)-octadec-9-enoxy]ethyl methanesulfonate
CID 118057476
dimethyl-(2-nonoxyethyl)-(4-sulfobutyl)azanium
CID 134165235

Frequently Asked Questions

What is the IUPAC name of 10-nonoxydec-7-ene-1-sulfonic acid?
The IUPAC name of 10-nonoxydec-7-ene-1-sulfonic acid (CID 74380555) is 10-nonoxydec-7-ene-1-sulfonic acid.
What is the SMILES notation for 10-nonoxydec-7-ene-1-sulfonic acid?
The canonical SMILES for 10-nonoxydec-7-ene-1-sulfonic acid is CCCCCCCCCOCCC=CCCCCCCS(=O)(=O)O.
What is the InChIKey of 10-nonoxydec-7-ene-1-sulfonic acid?
The InChIKey is LNECGHDTFCZRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O4S/c1-2-3-4-5-8-11-14-17-23-18-15-12-9-6-7-10-13-16-19-24(20,21)22/h9,12H,2-8,10-11,13-19H2,1H3,(H,20,21,22).
What are the key properties of 10-nonoxydec-7-ene-1-sulfonic acid?
10-nonoxydec-7-ene-1-sulfonic acid has a molecular weight of 362.58 g/mol, XLogP of 5.54, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-nonoxydec-7-ene-1-sulfonic acid is sourced from PubChem (CID 74380555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).