2-[(E)-2-methyloct-3-en-4-yl]thiophene

C13H20S — CID 146324336

IUPAC2-[(E)-2-methyloct-3-en-4-yl]thiophene
SMILESCCCC/C(=C\C(C)C)c1cccs1
InChIInChI=1S/C13H20S/c1-4-5-7-12(10-11(2)3)13-8-6-9-14-13/h6,8-11H,4-5,7H2,1-3H3/b12-10+
InChIKeyPGABNALSMAMGQG-ZRDIBKRKSA-N
MW208.37 g/mol
LogP4.98
Rot. Bonds5

About 2-[(E)-2-methyloct-3-en-4-yl]thiophene

2-[(E)-2-methyloct-3-en-4-yl]thiophene (PubChem CID 146324336) has the molecular formula C13H20S and a molecular weight of 208.37 g/mol. Its IUPAC name is 2-[(E)-2-methyloct-3-en-4-yl]thiophene.

Molecular Properties

Compound Name2-[(E)-2-methyloct-3-en-4-yl]thiophene
PubChem CID146324336
Molecular FormulaC13H20S
Molecular Weight208.37 g/mol
Exact Mass208.13
IUPAC Name2-[(E)-2-methyloct-3-en-4-yl]thiophene
SMILESCCCC/C(=C\C(C)C)c1cccs1
InChIInChI=1S/C13H20S/c1-4-5-7-12(10-11(2)3)13-8-6-9-14-13/h6,8-11H,4-5,7H2,1-3H3/b12-10+
InChIKeyPGABNALSMAMGQG-ZRDIBKRKSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.37
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-pentoxy-1-thiophen-2-ylbutan-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-methyloct-3-en-4-yl]thiophene?
The IUPAC name of 2-[(E)-2-methyloct-3-en-4-yl]thiophene (CID 146324336) is 2-[(E)-2-methyloct-3-en-4-yl]thiophene.
What is the SMILES notation for 2-[(E)-2-methyloct-3-en-4-yl]thiophene?
The canonical SMILES for 2-[(E)-2-methyloct-3-en-4-yl]thiophene is CCCC/C(=C\C(C)C)c1cccs1.
What is the InChIKey of 2-[(E)-2-methyloct-3-en-4-yl]thiophene?
The InChIKey is PGABNALSMAMGQG-ZRDIBKRKSA-N. The full InChI is InChI=1S/C13H20S/c1-4-5-7-12(10-11(2)3)13-8-6-9-14-13/h6,8-11H,4-5,7H2,1-3H3/b12-10+.
What are the key properties of 2-[(E)-2-methyloct-3-en-4-yl]thiophene?
2-[(E)-2-methyloct-3-en-4-yl]thiophene has a molecular weight of 208.37 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-methyloct-3-en-4-yl]thiophene is sourced from PubChem (CID 146324336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).