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

C14H22OS — CID 83929719

IUPAC2-methyl-3-[2-[5-(2-methylpropyl)thiophen-2-yl]propyl]oxirane
SMILESCC(C)Cc1ccc(C(C)CC2OC2C)s1
InChIInChI=1S/C14H22OS/c1-9(2)7-12-5-6-14(16-12)10(3)8-13-11(4)15-13/h5-6,9-11,13H,7-8H2,1-4H3
InChIKeyBYBQYEQOUGNFSS-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.23
Rot. Bonds5

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

2-methyl-3-[2-[5-(2-methylpropyl)thiophen-2-yl]propyl]oxirane (PubChem CID 83929719) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-methyl-3-[2-[5-(2-methylpropyl)thiophen-2-yl]propyl]oxirane.

Molecular Properties

Compound Name2-methyl-3-[2-[5-(2-methylpropyl)thiophen-2-yl]propyl]oxirane
PubChem CID83929719
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name2-methyl-3-[2-[5-(2-methylpropyl)thiophen-2-yl]propyl]oxirane
SMILESCC(C)Cc1ccc(C(C)CC2OC2C)s1
InChIInChI=1S/C14H22OS/c1-9(2)7-12-5-6-14(16-12)10(3)8-13-11(4)15-13/h5-6,9-11,13H,7-8H2,1-4H3
InChIKeyBYBQYEQOUGNFSS-UHFFFAOYSA-N
XLogP4.23
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.23
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]propyl]oxirane?
The IUPAC name of 2-methyl-3-[2-[5-(2-methylpropyl)thiophen-2-yl]propyl]oxirane (CID 83929719) is 2-methyl-3-[2-[5-(2-methylpropyl)thiophen-2-yl]propyl]oxirane.
What is the SMILES notation for 2-methyl-3-[2-[5-(2-methylpropyl)thiophen-2-yl]propyl]oxirane?
The canonical SMILES for 2-methyl-3-[2-[5-(2-methylpropyl)thiophen-2-yl]propyl]oxirane is CC(C)Cc1ccc(C(C)CC2OC2C)s1.
What is the InChIKey of 2-methyl-3-[2-[5-(2-methylpropyl)thiophen-2-yl]propyl]oxirane?
The InChIKey is BYBQYEQOUGNFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-9(2)7-12-5-6-14(16-12)10(3)8-13-11(4)15-13/h5-6,9-11,13H,7-8H2,1-4H3.
What are the key properties of 2-methyl-3-[2-[5-(2-methylpropyl)thiophen-2-yl]propyl]oxirane?
2-methyl-3-[2-[5-(2-methylpropyl)thiophen-2-yl]propyl]oxirane has a molecular weight of 238.40 g/mol, XLogP of 4.23, 5 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]propyl]oxirane is sourced from PubChem (CID 83929719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).