5-[(Z)-hex-3-enyl]-5-methyloxolane-2-thione

C11H18OS — CID 11435567

IUPAC5-[(Z)-hex-3-enyl]-5-methyloxolane-2-thione
SMILESCC/C=C\CCC1(C)CCC(=S)O1
InChIInChI=1S/C11H18OS/c1-3-4-5-6-8-11(2)9-7-10(13)12-11/h4-5H,3,6-9H2,1-2H3/b5-4-
InChIKeyVCQXDKORADAQPS-PLNGDYQASA-N
MW198.33 g/mol
LogP3.63
Rot. Bonds4

About 5-[(Z)-hex-3-enyl]-5-methyloxolane-2-thione

5-[(Z)-hex-3-enyl]-5-methyloxolane-2-thione (PubChem CID 11435567) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 5-[(Z)-hex-3-enyl]-5-methyloxolane-2-thione.

Molecular Properties

Compound Name5-[(Z)-hex-3-enyl]-5-methyloxolane-2-thione
PubChem CID11435567
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name5-[(Z)-hex-3-enyl]-5-methyloxolane-2-thione
SMILESCC/C=C\CCC1(C)CCC(=S)O1
InChIInChI=1S/C11H18OS/c1-3-4-5-6-8-11(2)9-7-10(13)12-11/h4-5H,3,6-9H2,1-2H3/b5-4-
InChIKeyVCQXDKORADAQPS-PLNGDYQASA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-hex-3-enyl]-5-methyloxolane-2-thione?
The IUPAC name of 5-[(Z)-hex-3-enyl]-5-methyloxolane-2-thione (CID 11435567) is 5-[(Z)-hex-3-enyl]-5-methyloxolane-2-thione.
What is the SMILES notation for 5-[(Z)-hex-3-enyl]-5-methyloxolane-2-thione?
The canonical SMILES for 5-[(Z)-hex-3-enyl]-5-methyloxolane-2-thione is CC/C=C\CCC1(C)CCC(=S)O1.
What is the InChIKey of 5-[(Z)-hex-3-enyl]-5-methyloxolane-2-thione?
The InChIKey is VCQXDKORADAQPS-PLNGDYQASA-N. The full InChI is InChI=1S/C11H18OS/c1-3-4-5-6-8-11(2)9-7-10(13)12-11/h4-5H,3,6-9H2,1-2H3/b5-4-.
What are the key properties of 5-[(Z)-hex-3-enyl]-5-methyloxolane-2-thione?
5-[(Z)-hex-3-enyl]-5-methyloxolane-2-thione has a molecular weight of 198.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-hex-3-enyl]-5-methyloxolane-2-thione is sourced from PubChem (CID 11435567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).