2-butyl-2-(2-methylidenepentyl)thiolane

C14H26S — CID 91132970

IUPAC2-butyl-2-(2-methylidenepentyl)thiolane
SMILESC=C(CCC)CC1(CCCC)CCCS1
InChIInChI=1S/C14H26S/c1-4-6-9-14(10-7-11-15-14)12-13(3)8-5-2/h3-12H2,1-2H3
InChIKeyNIFLTKFBFPHBDG-UHFFFAOYSA-N
MW226.43 g/mol
LogP5.19
Rot. Bonds7

About 2-butyl-2-(2-methylidenepentyl)thiolane

2-butyl-2-(2-methylidenepentyl)thiolane (PubChem CID 91132970) has the molecular formula C14H26S and a molecular weight of 226.43 g/mol. Its IUPAC name is 2-butyl-2-(2-methylidenepentyl)thiolane.

Molecular Properties

Compound Name2-butyl-2-(2-methylidenepentyl)thiolane
PubChem CID91132970
Molecular FormulaC14H26S
Molecular Weight226.43 g/mol
Exact Mass226.18
IUPAC Name2-butyl-2-(2-methylidenepentyl)thiolane
SMILESC=C(CCC)CC1(CCCC)CCCS1
InChIInChI=1S/C14H26S/c1-4-6-9-14(10-7-11-15-14)12-13(3)8-5-2/h3-12H2,1-2H3
InChIKeyNIFLTKFBFPHBDG-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.43
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-(2-methylidenepentyl)thiolane?
The IUPAC name of 2-butyl-2-(2-methylidenepentyl)thiolane (CID 91132970) is 2-butyl-2-(2-methylidenepentyl)thiolane.
What is the SMILES notation for 2-butyl-2-(2-methylidenepentyl)thiolane?
The canonical SMILES for 2-butyl-2-(2-methylidenepentyl)thiolane is C=C(CCC)CC1(CCCC)CCCS1.
What is the InChIKey of 2-butyl-2-(2-methylidenepentyl)thiolane?
The InChIKey is NIFLTKFBFPHBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26S/c1-4-6-9-14(10-7-11-15-14)12-13(3)8-5-2/h3-12H2,1-2H3.
What are the key properties of 2-butyl-2-(2-methylidenepentyl)thiolane?
2-butyl-2-(2-methylidenepentyl)thiolane has a molecular weight of 226.43 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-(2-methylidenepentyl)thiolane is sourced from PubChem (CID 91132970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).