2-pentylsulfanyloxane

C10H20OS — CID 10879428

IUPAC2-pentylsulfanyloxane
SMILESCCCCCSC1CCCCO1
InChIInChI=1S/C10H20OS/c1-2-3-6-9-12-10-7-4-5-8-11-10/h10H,2-9H2,1H3
InChIKeyMDRKZASTFZKLBA-UHFFFAOYSA-N
MW188.34 g/mol
LogP3.44
Rot. Bonds5

About 2-pentylsulfanyloxane

2-pentylsulfanyloxane (PubChem CID 10879428) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 2-pentylsulfanyloxane.

Molecular Properties

Compound Name2-pentylsulfanyloxane
PubChem CID10879428
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name2-pentylsulfanyloxane
SMILESCCCCCSC1CCCCO1
InChIInChI=1S/C10H20OS/c1-2-3-6-9-12-10-7-4-5-8-11-10/h10H,2-9H2,1H3
InChIKeyMDRKZASTFZKLBA-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 53.44
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-pentylsulfanyloxane?
The IUPAC name of 2-pentylsulfanyloxane (CID 10879428) is 2-pentylsulfanyloxane.
What is the SMILES notation for 2-pentylsulfanyloxane?
The canonical SMILES for 2-pentylsulfanyloxane is CCCCCSC1CCCCO1.
What is the InChIKey of 2-pentylsulfanyloxane?
The InChIKey is MDRKZASTFZKLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-2-3-6-9-12-10-7-4-5-8-11-10/h10H,2-9H2,1H3.
What are the key properties of 2-pentylsulfanyloxane?
2-pentylsulfanyloxane has a molecular weight of 188.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylsulfanyloxane is sourced from PubChem (CID 10879428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).