2-[5-(methoxymethoxy)pentyl]-1,3-dithiane

C11H22O2S2 — CID 86213248

IUPAC2-[5-(methoxymethoxy)pentyl]-1,3-dithiane
SMILESCOCOCCCCCC1SCCCS1
InChIInChI=1S/C11H22O2S2/c1-12-10-13-7-4-2-3-6-11-14-8-5-9-15-11/h11H,2-10H2,1H3
InChIKeyJMQFKRJSYGSEGD-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.36
Rot. Bonds8

About 2-[5-(methoxymethoxy)pentyl]-1,3-dithiane

2-[5-(methoxymethoxy)pentyl]-1,3-dithiane (PubChem CID 86213248) has the molecular formula C11H22O2S2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2-[5-(methoxymethoxy)pentyl]-1,3-dithiane.

Molecular Properties

Compound Name2-[5-(methoxymethoxy)pentyl]-1,3-dithiane
PubChem CID86213248
Molecular FormulaC11H22O2S2
Molecular Weight250.43 g/mol
Exact Mass250.11
IUPAC Name2-[5-(methoxymethoxy)pentyl]-1,3-dithiane
SMILESCOCOCCCCCC1SCCCS1
InChIInChI=1S/C11H22O2S2/c1-12-10-13-7-4-2-3-6-11-14-8-5-9-15-11/h11H,2-10H2,1H3
InChIKeyJMQFKRJSYGSEGD-UHFFFAOYSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethoxy)pentyl]-1,3-dithiane?
The IUPAC name of 2-[5-(methoxymethoxy)pentyl]-1,3-dithiane (CID 86213248) is 2-[5-(methoxymethoxy)pentyl]-1,3-dithiane.
What is the SMILES notation for 2-[5-(methoxymethoxy)pentyl]-1,3-dithiane?
The canonical SMILES for 2-[5-(methoxymethoxy)pentyl]-1,3-dithiane is COCOCCCCCC1SCCCS1.
What is the InChIKey of 2-[5-(methoxymethoxy)pentyl]-1,3-dithiane?
The InChIKey is JMQFKRJSYGSEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2S2/c1-12-10-13-7-4-2-3-6-11-14-8-5-9-15-11/h11H,2-10H2,1H3.
What are the key properties of 2-[5-(methoxymethoxy)pentyl]-1,3-dithiane?
2-[5-(methoxymethoxy)pentyl]-1,3-dithiane has a molecular weight of 250.43 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethoxy)pentyl]-1,3-dithiane is sourced from PubChem (CID 86213248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).