2-(prop-2-enylsulfanylmethyl)oxolane

C8H14OS — CID 3652517

IUPAC2-(prop-2-enylsulfanylmethyl)oxolane
SMILESC=CCSCC1CCCO1
InChIInChI=1S/C8H14OS/c1-2-6-10-7-8-4-3-5-9-8/h2,8H,1,3-7H2
InChIKeyOTMUQNZURWWYSH-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.08
Rot. Bonds4

About 2-(prop-2-enylsulfanylmethyl)oxolane

2-(prop-2-enylsulfanylmethyl)oxolane (PubChem CID 3652517) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-(prop-2-enylsulfanylmethyl)oxolane.

Molecular Properties

Compound Name2-(prop-2-enylsulfanylmethyl)oxolane
PubChem CID3652517
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name2-(prop-2-enylsulfanylmethyl)oxolane
SMILESC=CCSCC1CCCO1
InChIInChI=1S/C8H14OS/c1-2-6-10-7-8-4-3-5-9-8/h2,8H,1,3-7H2
InChIKeyOTMUQNZURWWYSH-UHFFFAOYSA-N
XLogP2.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.08
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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Related Compounds

2-(3-Butenyl)-2-methyl-1,3-oxathiolane
CID 15938034
2-(Ethenylsulfanylmethyl)oxolane
CID 19076165
2-(5-Prop-2-enylsulfanylpentyl)oxolane
CID 23326679
S-(oxolan-2-ylmethyl) prop-2-enethioate
CID 166709212
2-[1-[(E)-prop-1-enoxy]ethyl]thiolane
CID 176604014
2-[[(E)-prop-1-enoxy]methyl]thiolane
CID 176604118
2-Prop-2-enylsulfanyloxolane
CID 11367062
2-[[(E)-4-chlorobut-2-enyl]sulfanylmethyl]oxolane
CID 106493697
(E)-4-(oxolan-2-ylmethylsulfanyl)but-2-ene-1-thiol
CID 106497638
(E)-4-(2-methyloxolan-3-yl)sulfanylbut-2-ene-1-thiol
CID 107766443
2-Methyl-3-prop-2-enylsulfanyloxolane
CID 126992315
4-Prop-2-enylsulfanyloxane
CID 126992669

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylsulfanylmethyl)oxolane?
The IUPAC name of 2-(prop-2-enylsulfanylmethyl)oxolane (CID 3652517) is 2-(prop-2-enylsulfanylmethyl)oxolane.
What is the SMILES notation for 2-(prop-2-enylsulfanylmethyl)oxolane?
The canonical SMILES for 2-(prop-2-enylsulfanylmethyl)oxolane is C=CCSCC1CCCO1.
What is the InChIKey of 2-(prop-2-enylsulfanylmethyl)oxolane?
The InChIKey is OTMUQNZURWWYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-2-6-10-7-8-4-3-5-9-8/h2,8H,1,3-7H2.
What are the key properties of 2-(prop-2-enylsulfanylmethyl)oxolane?
2-(prop-2-enylsulfanylmethyl)oxolane has a molecular weight of 158.27 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylsulfanylmethyl)oxolane is sourced from PubChem (CID 3652517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).