4,6-dipropylnonane-5,5-disulfonic acid

C15H32O6S2 — CID 89439471

IUPAC4,6-dipropylnonane-5,5-disulfonic acid
SMILESCCCC(CCC)C(C(CCC)CCC)(S(=O)(=O)O)S(=O)(=O)O
InChIInChI=1S/C15H32O6S2/c1-5-9-13(10-6-2)15(22(16,17)18,23(19,20)21)14(11-7-3)12-8-4/h13-14H,5-12H2,1-4H3,(H,16,17,18)(H,19,20,21)
InChIKeySDLMPENABTVTSF-UHFFFAOYSA-N
MW372.55 g/mol
LogP3.89
Rot. Bonds12

About 4,6-dipropylnonane-5,5-disulfonic acid

4,6-dipropylnonane-5,5-disulfonic acid (PubChem CID 89439471) has the molecular formula C15H32O6S2 and a molecular weight of 372.55 g/mol. Its IUPAC name is 4,6-dipropylnonane-5,5-disulfonic acid.

Molecular Properties

Compound Name4,6-dipropylnonane-5,5-disulfonic acid
PubChem CID89439471
Molecular FormulaC15H32O6S2
Molecular Weight372.55 g/mol
Exact Mass372.16
IUPAC Name4,6-dipropylnonane-5,5-disulfonic acid
SMILESCCCC(CCC)C(C(CCC)CCC)(S(=O)(=O)O)S(=O)(=O)O
InChIInChI=1S/C15H32O6S2/c1-5-9-13(10-6-2)15(22(16,17)18,23(19,20)21)14(11-7-3)12-8-4/h13-14H,5-12H2,1-4H3,(H,16,17,18)(H,19,20,21)
InChIKeySDLMPENABTVTSF-UHFFFAOYSA-N
XLogP3.89
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;tributyl(methyl)phosphanium;trifluoromethanesulfonic acid
CID 174524240
7,9-dimethylpentadecane-8,8-disulfonic acid
CID 89439516
3,5-diethyl-2,6-dimethylheptane-4,4-disulfonic acid
CID 89440329
hydroxy-(1-hydroxysulfonothioylbutyl)-oxo-sulfanylidene-λ6-sulfane
CID 18324572
2,2-di(heptan-4-yl)propanedioic acid
CID 91100527
N-(1-aminobutyl)hydroxylamine;trifluoromethanesulfonic acid
CID 157234368
1,1-difluoro-2-[(1-hydroxy-2-methylprop-2-enoxy)methyl]pentane-1-sulfonic acid
CID 158165871
5,5-dipropyloctane-4-sulfonic acid
CID 175559020
3-ethyl-2,2-difluorohexanoic acid
CID 53443924
1,1-diamino-2-ethylbutane-1-sulfonic acid
CID 141479920
sulfuric acid;triethyl(methyl)phosphanium
CID 174902291
sodium;3-ethylpentane-3-sulfonic acid;hydride
CID 173432345

Frequently Asked Questions

What is the IUPAC name of 4,6-dipropylnonane-5,5-disulfonic acid?
The IUPAC name of 4,6-dipropylnonane-5,5-disulfonic acid (CID 89439471) is 4,6-dipropylnonane-5,5-disulfonic acid.
What is the SMILES notation for 4,6-dipropylnonane-5,5-disulfonic acid?
The canonical SMILES for 4,6-dipropylnonane-5,5-disulfonic acid is CCCC(CCC)C(C(CCC)CCC)(S(=O)(=O)O)S(=O)(=O)O.
What is the InChIKey of 4,6-dipropylnonane-5,5-disulfonic acid?
The InChIKey is SDLMPENABTVTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O6S2/c1-5-9-13(10-6-2)15(22(16,17)18,23(19,20)21)14(11-7-3)12-8-4/h13-14H,5-12H2,1-4H3,(H,16,17,18)(H,19,20,21).
What are the key properties of 4,6-dipropylnonane-5,5-disulfonic acid?
4,6-dipropylnonane-5,5-disulfonic acid has a molecular weight of 372.55 g/mol, XLogP of 3.89, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dipropylnonane-5,5-disulfonic acid is sourced from PubChem (CID 89439471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).