hexyl pentyl sulfite

C11H24O3S — CID 6420421

IUPAChexyl pentyl sulfite
SMILESCCCCCCOS(=O)OCCCCC
InChIInChI=1S/C11H24O3S/c1-3-5-7-9-11-14-15(12)13-10-8-6-4-2/h3-11H2,1-2H3
InChIKeyHFGIHVYYQWFWKF-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.37
Rot. Bonds11

About hexyl pentyl sulfite

hexyl pentyl sulfite (PubChem CID 6420421) has the molecular formula C11H24O3S and a molecular weight of 236.38 g/mol. Its IUPAC name is hexyl pentyl sulfite.

Molecular Properties

Compound Namehexyl pentyl sulfite
PubChem CID6420421
Molecular FormulaC11H24O3S
Molecular Weight236.38 g/mol
Exact Mass236.14
IUPAC Namehexyl pentyl sulfite
SMILESCCCCCCOS(=O)OCCCCC
InChIInChI=1S/C11H24O3S/c1-3-5-7-9-11-14-15(12)13-10-8-6-4-2/h3-11H2,1-2H3
InChIKeyHFGIHVYYQWFWKF-UHFFFAOYSA-N
XLogP3.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexyl pentyl sulfite?
The IUPAC name of hexyl pentyl sulfite (CID 6420421) is hexyl pentyl sulfite.
What is the SMILES notation for hexyl pentyl sulfite?
The canonical SMILES for hexyl pentyl sulfite is CCCCCCOS(=O)OCCCCC.
What is the InChIKey of hexyl pentyl sulfite?
The InChIKey is HFGIHVYYQWFWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3S/c1-3-5-7-9-11-14-15(12)13-10-8-6-4-2/h3-11H2,1-2H3.
What are the key properties of hexyl pentyl sulfite?
hexyl pentyl sulfite has a molecular weight of 236.38 g/mol, XLogP of 3.37, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl pentyl sulfite is sourced from PubChem (CID 6420421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).