bis(4-hydroxypentyl) sulfite

C10H22O5S — CID 155124795

IUPACbis(4-hydroxypentyl) sulfite
SMILESCC(O)CCCOS(=O)OCCCC(C)O
InChIInChI=1S/C10H22O5S/c1-9(11)5-3-7-14-16(13)15-8-4-6-10(2)12/h9-12H,3-8H2,1-2H3
InChIKeyZHIWRUSASYTGES-UHFFFAOYSA-N
MW254.35 g/mol
LogP0.92
Rot. Bonds10

About bis(4-hydroxypentyl) sulfite

bis(4-hydroxypentyl) sulfite (PubChem CID 155124795) has the molecular formula C10H22O5S and a molecular weight of 254.35 g/mol. Its IUPAC name is bis(4-hydroxypentyl) sulfite.

Molecular Properties

Compound Namebis(4-hydroxypentyl) sulfite
PubChem CID155124795
Molecular FormulaC10H22O5S
Molecular Weight254.35 g/mol
Exact Mass254.12
IUPAC Namebis(4-hydroxypentyl) sulfite
SMILESCC(O)CCCOS(=O)OCCCC(C)O
InChIInChI=1S/C10H22O5S/c1-9(11)5-3-7-14-16(13)15-8-4-6-10(2)12/h9-12H,3-8H2,1-2H3
InChIKeyZHIWRUSASYTGES-UHFFFAOYSA-N
XLogP0.92
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxy-2-methylbutyl) 4-methylpentyl sulfite
CID 6421003
1-(4-hydroxypentoxy)pentane-1,4-diol
CID 175142118
dibutyl sulfite;3,4-dimethylhexane-1,6-disulfonic acid
CID 175377714
(2S)-5-chloropentan-2-ol
CID 12659782
5-(2-propoxyethoxy)pentan-2-ol
CID 63686964
5-pentan-3-yloxypentan-2-ol
CID 175260271
pentadecyl pentyl sulfite
CID 6421054
hexane-1,5-diol;propane-1,3-diol
CID 139532508
(10S)-undecane-1,10-diol
CID 129382222
henicosane-1,20-diol
CID 86247204
hexadecane-1,15-diol
CID 53400630
4-hydroxypentyl (E)-but-2-enoate
CID 88654107

Frequently Asked Questions

What is the IUPAC name of bis(4-hydroxypentyl) sulfite?
The IUPAC name of bis(4-hydroxypentyl) sulfite (CID 155124795) is bis(4-hydroxypentyl) sulfite.
What is the SMILES notation for bis(4-hydroxypentyl) sulfite?
The canonical SMILES for bis(4-hydroxypentyl) sulfite is CC(O)CCCOS(=O)OCCCC(C)O.
What is the InChIKey of bis(4-hydroxypentyl) sulfite?
The InChIKey is ZHIWRUSASYTGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O5S/c1-9(11)5-3-7-14-16(13)15-8-4-6-10(2)12/h9-12H,3-8H2,1-2H3.
What are the key properties of bis(4-hydroxypentyl) sulfite?
bis(4-hydroxypentyl) sulfite has a molecular weight of 254.35 g/mol, XLogP of 0.92, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-hydroxypentyl) sulfite is sourced from PubChem (CID 155124795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).