2-(5-prop-2-enylsulfanylpentyl)oxolane

C12H22OS — CID 23326679

IUPAC2-(5-prop-2-enylsulfanylpentyl)oxolane
SMILESC=CCSCCCCCC1CCCO1
InChIInChI=1S/C12H22OS/c1-2-10-14-11-5-3-4-7-12-8-6-9-13-12/h2,12H,1,3-11H2
InChIKeyPHVCUJXSEBWLQZ-UHFFFAOYSA-N
MW214.37 g/mol
LogP3.64
Rot. Bonds8

About 2-(5-prop-2-enylsulfanylpentyl)oxolane

2-(5-prop-2-enylsulfanylpentyl)oxolane (PubChem CID 23326679) has the molecular formula C12H22OS and a molecular weight of 214.37 g/mol. Its IUPAC name is 2-(5-prop-2-enylsulfanylpentyl)oxolane.

Molecular Properties

Compound Name2-(5-prop-2-enylsulfanylpentyl)oxolane
PubChem CID23326679
Molecular FormulaC12H22OS
Molecular Weight214.37 g/mol
Exact Mass214.14
IUPAC Name2-(5-prop-2-enylsulfanylpentyl)oxolane
SMILESC=CCSCCCCCC1CCCO1
InChIInChI=1S/C12H22OS/c1-2-10-14-11-5-3-4-7-12-8-6-9-13-12/h2,12H,1,3-11H2
InChIKeyPHVCUJXSEBWLQZ-UHFFFAOYSA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.37
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-prop-2-enylsulfanylpentyl)oxolane?
The IUPAC name of 2-(5-prop-2-enylsulfanylpentyl)oxolane (CID 23326679) is 2-(5-prop-2-enylsulfanylpentyl)oxolane.
What is the SMILES notation for 2-(5-prop-2-enylsulfanylpentyl)oxolane?
The canonical SMILES for 2-(5-prop-2-enylsulfanylpentyl)oxolane is C=CCSCCCCCC1CCCO1.
What is the InChIKey of 2-(5-prop-2-enylsulfanylpentyl)oxolane?
The InChIKey is PHVCUJXSEBWLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OS/c1-2-10-14-11-5-3-4-7-12-8-6-9-13-12/h2,12H,1,3-11H2.
What are the key properties of 2-(5-prop-2-enylsulfanylpentyl)oxolane?
2-(5-prop-2-enylsulfanylpentyl)oxolane has a molecular weight of 214.37 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-prop-2-enylsulfanylpentyl)oxolane is sourced from PubChem (CID 23326679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).