2-(5-methylhex-5-enyl)thiolane

C11H20S — CID 91321306

IUPAC2-(5-methylhex-5-enyl)thiolane
SMILESC=C(C)CCCCC1CCCS1
InChIInChI=1S/C11H20S/c1-10(2)6-3-4-7-11-8-5-9-12-11/h11H,1,3-9H2,2H3
InChIKeyHMJLCGYREGGICS-UHFFFAOYSA-N
MW184.35 g/mol
LogP4.02
Rot. Bonds5

About 2-(5-methylhex-5-enyl)thiolane

2-(5-methylhex-5-enyl)thiolane (PubChem CID 91321306) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 2-(5-methylhex-5-enyl)thiolane.

Molecular Properties

Compound Name2-(5-methylhex-5-enyl)thiolane
PubChem CID91321306
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name2-(5-methylhex-5-enyl)thiolane
SMILESC=C(C)CCCCC1CCCS1
InChIInChI=1S/C11H20S/c1-10(2)6-3-4-7-11-8-5-9-12-11/h11H,1,3-9H2,2H3
InChIKeyHMJLCGYREGGICS-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methylhex-5-enyl)thiolane?
The IUPAC name of 2-(5-methylhex-5-enyl)thiolane (CID 91321306) is 2-(5-methylhex-5-enyl)thiolane.
What is the SMILES notation for 2-(5-methylhex-5-enyl)thiolane?
The canonical SMILES for 2-(5-methylhex-5-enyl)thiolane is C=C(C)CCCCC1CCCS1.
What is the InChIKey of 2-(5-methylhex-5-enyl)thiolane?
The InChIKey is HMJLCGYREGGICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-10(2)6-3-4-7-11-8-5-9-12-11/h11H,1,3-9H2,2H3.
What are the key properties of 2-(5-methylhex-5-enyl)thiolane?
2-(5-methylhex-5-enyl)thiolane has a molecular weight of 184.35 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylhex-5-enyl)thiolane is sourced from PubChem (CID 91321306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).