2-methyl-3-[2-[5-(2-methylpropyl)thiophen-2-yl]butyl]oxirane

C15H24OS — CID 83929718

IUPAC2-methyl-3-[2-[5-(2-methylpropyl)thiophen-2-yl]butyl]oxirane
SMILESCCC(CC1OC1C)c1ccc(CC(C)C)s1
InChIInChI=1S/C15H24OS/c1-5-12(9-14-11(4)16-14)15-7-6-13(17-15)8-10(2)3/h6-7,10-12,14H,5,8-9H2,1-4H3
InChIKeyHPBCOTDIVSTPIT-UHFFFAOYSA-N
MW252.42 g/mol
LogP4.62
Rot. Bonds6

About 2-methyl-3-[2-[5-(2-methylpropyl)thiophen-2-yl]butyl]oxirane

2-methyl-3-[2-[5-(2-methylpropyl)thiophen-2-yl]butyl]oxirane (PubChem CID 83929718) has the molecular formula C15H24OS and a molecular weight of 252.42 g/mol. Its IUPAC name is 2-methyl-3-[2-[5-(2-methylpropyl)thiophen-2-yl]butyl]oxirane.

Molecular Properties

Compound Name2-methyl-3-[2-[5-(2-methylpropyl)thiophen-2-yl]butyl]oxirane
PubChem CID83929718
Molecular FormulaC15H24OS
Molecular Weight252.42 g/mol
Exact Mass252.15
IUPAC Name2-methyl-3-[2-[5-(2-methylpropyl)thiophen-2-yl]butyl]oxirane
SMILESCCC(CC1OC1C)c1ccc(CC(C)C)s1
InChIInChI=1S/C15H24OS/c1-5-12(9-14-11(4)16-14)15-7-6-13(17-15)8-10(2)3/h6-7,10-12,14H,5,8-9H2,1-4H3
InChIKeyHPBCOTDIVSTPIT-UHFFFAOYSA-N
XLogP4.62
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.42
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-[5-(2-methylpropyl)thiophen-2-yl]butyl]oxirane?
The IUPAC name of 2-methyl-3-[2-[5-(2-methylpropyl)thiophen-2-yl]butyl]oxirane (CID 83929718) is 2-methyl-3-[2-[5-(2-methylpropyl)thiophen-2-yl]butyl]oxirane.
What is the SMILES notation for 2-methyl-3-[2-[5-(2-methylpropyl)thiophen-2-yl]butyl]oxirane?
The canonical SMILES for 2-methyl-3-[2-[5-(2-methylpropyl)thiophen-2-yl]butyl]oxirane is CCC(CC1OC1C)c1ccc(CC(C)C)s1.
What is the InChIKey of 2-methyl-3-[2-[5-(2-methylpropyl)thiophen-2-yl]butyl]oxirane?
The InChIKey is HPBCOTDIVSTPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24OS/c1-5-12(9-14-11(4)16-14)15-7-6-13(17-15)8-10(2)3/h6-7,10-12,14H,5,8-9H2,1-4H3.
What are the key properties of 2-methyl-3-[2-[5-(2-methylpropyl)thiophen-2-yl]butyl]oxirane?
2-methyl-3-[2-[5-(2-methylpropyl)thiophen-2-yl]butyl]oxirane has a molecular weight of 252.42 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-[5-(2-methylpropyl)thiophen-2-yl]butyl]oxirane is sourced from PubChem (CID 83929718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).