1-methoxypentane;1,3-oxathiolane

C9H20O2S — CID 171083550

IUPAC1-methoxypentane;1,3-oxathiolane
SMILESC1CSCO1.CCCCCOC
InChIInChI=1S/C6H14O.C3H6OS/c1-3-4-5-6-7-2;1-2-5-3-4-1/h3-6H2,1-2H3;1-3H2
InChIKeyCMOGEVSHGJKUEQ-UHFFFAOYSA-N
MW192.32 g/mol
LogP2.53
Rot. Bonds4

About 1-methoxypentane;1,3-oxathiolane

1-methoxypentane;1,3-oxathiolane (PubChem CID 171083550) has the molecular formula C9H20O2S and a molecular weight of 192.32 g/mol. Its IUPAC name is 1-methoxypentane;1,3-oxathiolane.

Molecular Properties

Compound Name1-methoxypentane;1,3-oxathiolane
PubChem CID171083550
Molecular FormulaC9H20O2S
Molecular Weight192.32 g/mol
Exact Mass192.12
IUPAC Name1-methoxypentane;1,3-oxathiolane
SMILESC1CSCO1.CCCCCOC
InChIInChI=1S/C6H14O.C3H6OS/c1-3-4-5-6-7-2;1-2-5-3-4-1/h3-6H2,1-2H3;1-3H2
InChIKeyCMOGEVSHGJKUEQ-UHFFFAOYSA-N
XLogP2.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.32
LogP ≤ 52.53
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methoxypentane;1,3-oxathiolane?
The IUPAC name of 1-methoxypentane;1,3-oxathiolane (CID 171083550) is 1-methoxypentane;1,3-oxathiolane.
What is the SMILES notation for 1-methoxypentane;1,3-oxathiolane?
The canonical SMILES for 1-methoxypentane;1,3-oxathiolane is C1CSCO1.CCCCCOC.
What is the InChIKey of 1-methoxypentane;1,3-oxathiolane?
The InChIKey is CMOGEVSHGJKUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C3H6OS/c1-3-4-5-6-7-2;1-2-5-3-4-1/h3-6H2,1-2H3;1-3H2.
What are the key properties of 1-methoxypentane;1,3-oxathiolane?
1-methoxypentane;1,3-oxathiolane has a molecular weight of 192.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypentane;1,3-oxathiolane is sourced from PubChem (CID 171083550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).