(Z)-1-(benzenesulfonyl)-2,6-dihydroxydodec-1-ene-1-diazonium

C18H27N2O4S+ — CID 11035941

IUPAC(Z)-1-(benzenesulfonyl)-2,6-dihydroxydodec-1-ene-1-diazonium
SMILESCCCCCCC(O)CCC/C(O)=C(\[N+]#N)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H26N2O4S/c1-2-3-4-6-10-15(21)11-9-14-17(22)18(20-19)25(23,24)16-12-7-5-8-13-16/h5,7-8,12-13,15,21H,2-4,6,9-11,14H2,1H3/p+1/b18-17-
InChIKeyRCNFLPIBQLEXOW-ZCXUNETKSA-O
MW367.49 g/mol
LogP4.54
Rot. Bonds11

About (Z)-1-(benzenesulfonyl)-2,6-dihydroxydodec-1-ene-1-diazonium

(Z)-1-(benzenesulfonyl)-2,6-dihydroxydodec-1-ene-1-diazonium (PubChem CID 11035941) has the molecular formula C18H27N2O4S+ and a molecular weight of 367.49 g/mol. Its IUPAC name is (Z)-1-(benzenesulfonyl)-2,6-dihydroxydodec-1-ene-1-diazonium.

Molecular Properties

Compound Name(Z)-1-(benzenesulfonyl)-2,6-dihydroxydodec-1-ene-1-diazonium
PubChem CID11035941
Molecular FormulaC18H27N2O4S+
Molecular Weight367.49 g/mol
Exact Mass367.17
IUPAC Name(Z)-1-(benzenesulfonyl)-2,6-dihydroxydodec-1-ene-1-diazonium
SMILESCCCCCCC(O)CCC/C(O)=C(\[N+]#N)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H26N2O4S/c1-2-3-4-6-10-15(21)11-9-14-17(22)18(20-19)25(23,24)16-12-7-5-8-13-16/h5,7-8,12-13,15,21H,2-4,6,9-11,14H2,1H3/p+1/b18-17-
InChIKeyRCNFLPIBQLEXOW-ZCXUNETKSA-O
XLogP4.54
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

10-hydroxy-2-phenyloctadecanoic acid
CID 67642354
methyl 12-hydroxy-2-phenyloctadecanoate
CID 139643446
benzoic acid;decan-5-ol
CID 71345643
(2S,5S)-1-phenylpentadecane-2,5-diol
CID 98091747
benzenesulfonic acid;nonane
CID 158294552
5-hydroxyhexadecanoic acid
CID 5312761
(Z)-3-(benzenesulfonyl)-1-phenylundec-2-en-1-ol
CID 10643896
(1R,5S)-1-phenyldecane-1,5-diol
CID 10879541
icosan-9-ol
CID 11983377
nonacosane-7,20-diol
CID 174949468
azane;12-hydroxyoctadecanoic acid
CID 173370006
(7R)-hexatriacontan-7-ol
CID 88529159

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(benzenesulfonyl)-2,6-dihydroxydodec-1-ene-1-diazonium?
The IUPAC name of (Z)-1-(benzenesulfonyl)-2,6-dihydroxydodec-1-ene-1-diazonium (CID 11035941) is (Z)-1-(benzenesulfonyl)-2,6-dihydroxydodec-1-ene-1-diazonium.
What is the SMILES notation for (Z)-1-(benzenesulfonyl)-2,6-dihydroxydodec-1-ene-1-diazonium?
The canonical SMILES for (Z)-1-(benzenesulfonyl)-2,6-dihydroxydodec-1-ene-1-diazonium is CCCCCCC(O)CCC/C(O)=C(\[N+]#N)S(=O)(=O)c1ccccc1.
What is the InChIKey of (Z)-1-(benzenesulfonyl)-2,6-dihydroxydodec-1-ene-1-diazonium?
The InChIKey is RCNFLPIBQLEXOW-ZCXUNETKSA-O. The full InChI is InChI=1S/C18H26N2O4S/c1-2-3-4-6-10-15(21)11-9-14-17(22)18(20-19)25(23,24)16-12-7-5-8-13-16/h5,7-8,12-13,15,21H,2-4,6,9-11,14H2,1H3/p+1/b18-17-.
What are the key properties of (Z)-1-(benzenesulfonyl)-2,6-dihydroxydodec-1-ene-1-diazonium?
(Z)-1-(benzenesulfonyl)-2,6-dihydroxydodec-1-ene-1-diazonium has a molecular weight of 367.49 g/mol, XLogP of 4.54, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(benzenesulfonyl)-2,6-dihydroxydodec-1-ene-1-diazonium is sourced from PubChem (CID 11035941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).