2-(3-methoxypropyl)thiolane

C8H16OS — CID 23315791

IUPAC2-(3-methoxypropyl)thiolane
SMILESCOCCCC1CCCS1
InChIInChI=1S/C8H16OS/c1-9-6-2-4-8-5-3-7-10-8/h8H,2-7H2,1H3
InChIKeyOPHVNXLDMWRLFL-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.31
Rot. Bonds4

About 2-(3-methoxypropyl)thiolane

2-(3-methoxypropyl)thiolane (PubChem CID 23315791) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-(3-methoxypropyl)thiolane.

Molecular Properties

Compound Name2-(3-methoxypropyl)thiolane
PubChem CID23315791
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-(3-methoxypropyl)thiolane
SMILESCOCCCC1CCCS1
InChIInChI=1S/C8H16OS/c1-9-6-2-4-8-5-3-7-10-8/h8H,2-7H2,1H3
InChIKeyOPHVNXLDMWRLFL-UHFFFAOYSA-N
XLogP2.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(3-methoxypropyl)thiolane?
The IUPAC name of 2-(3-methoxypropyl)thiolane (CID 23315791) is 2-(3-methoxypropyl)thiolane.
What is the SMILES notation for 2-(3-methoxypropyl)thiolane?
The canonical SMILES for 2-(3-methoxypropyl)thiolane is COCCCC1CCCS1.
What is the InChIKey of 2-(3-methoxypropyl)thiolane?
The InChIKey is OPHVNXLDMWRLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-9-6-2-4-8-5-3-7-10-8/h8H,2-7H2,1H3.
What are the key properties of 2-(3-methoxypropyl)thiolane?
2-(3-methoxypropyl)thiolane has a molecular weight of 160.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)thiolane is sourced from PubChem (CID 23315791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).