2-hexylsulfanyl-5-methylideneoxolane

C11H20OS — CID 89381105

IUPAC2-hexylsulfanyl-5-methylideneoxolane
SMILESC=C1CCC(SCCCCCC)O1
InChIInChI=1S/C11H20OS/c1-3-4-5-6-9-13-11-8-7-10(2)12-11/h11H,2-9H2,1H3
InChIKeyNIPVVVZVKZLWFK-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.95
Rot. Bonds6

About 2-hexylsulfanyl-5-methylideneoxolane

2-hexylsulfanyl-5-methylideneoxolane (PubChem CID 89381105) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-hexylsulfanyl-5-methylideneoxolane.

Molecular Properties

Compound Name2-hexylsulfanyl-5-methylideneoxolane
PubChem CID89381105
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name2-hexylsulfanyl-5-methylideneoxolane
SMILESC=C1CCC(SCCCCCC)O1
InChIInChI=1S/C11H20OS/c1-3-4-5-6-9-13-11-8-7-10(2)12-11/h11H,2-9H2,1H3
InChIKeyNIPVVVZVKZLWFK-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.95
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-hexylsulfanyl-5-methylideneoxolane?
The IUPAC name of 2-hexylsulfanyl-5-methylideneoxolane (CID 89381105) is 2-hexylsulfanyl-5-methylideneoxolane.
What is the SMILES notation for 2-hexylsulfanyl-5-methylideneoxolane?
The canonical SMILES for 2-hexylsulfanyl-5-methylideneoxolane is C=C1CCC(SCCCCCC)O1.
What is the InChIKey of 2-hexylsulfanyl-5-methylideneoxolane?
The InChIKey is NIPVVVZVKZLWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-3-4-5-6-9-13-11-8-7-10(2)12-11/h11H,2-9H2,1H3.
What are the key properties of 2-hexylsulfanyl-5-methylideneoxolane?
2-hexylsulfanyl-5-methylideneoxolane has a molecular weight of 200.35 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexylsulfanyl-5-methylideneoxolane is sourced from PubChem (CID 89381105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).