3-[(1E)-4-methylpenta-1,4-dienyl]thiophene

C10H12S — CID 18954556

IUPAC3-[(1E)-4-methylpenta-1,4-dienyl]thiophene
SMILESC=C(C)C/C=C/c1ccsc1
InChIInChI=1S/C10H12S/c1-9(2)4-3-5-10-6-7-11-8-10/h3,5-8H,1,4H2,2H3/b5-3+
InChIKeyOKONOWSYEZBVFT-HWKANZROSA-N
MW164.27 g/mol
LogP3.73
Rot. Bonds3

About 3-[(1E)-4-methylpenta-1,4-dienyl]thiophene

3-[(1E)-4-methylpenta-1,4-dienyl]thiophene (PubChem CID 18954556) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is 3-[(1E)-4-methylpenta-1,4-dienyl]thiophene.

Molecular Properties

Compound Name3-[(1E)-4-methylpenta-1,4-dienyl]thiophene
PubChem CID18954556
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name3-[(1E)-4-methylpenta-1,4-dienyl]thiophene
SMILESC=C(C)C/C=C/c1ccsc1
InChIInChI=1S/C10H12S/c1-9(2)4-3-5-10-6-7-11-8-10/h3,5-8H,1,4H2,2H3/b5-3+
InChIKeyOKONOWSYEZBVFT-HWKANZROSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-thiophen-3-ylbut-3-enoic acid
CID 23369401
3-[(E)-but-1-enyl]thiophene
CID 15047169
N-methyl-3-thiophen-3-ylprop-2-en-1-amine
CID 79347337
3-thiophen-3-ylprop-2-ene-1-thiol
CID 169454515
(E)-N,N-dimethyl-3-thiophen-3-ylprop-2-en-1-amine
CID 20603574
3-[(1E,4Z)-3-methylidenehexa-1,4-dienyl]thiophene
CID 167009445
methyl (3E,5E,7E,9E,11E)-12-thiophen-3-yldodeca-3,5,7,9,11-pentaenoate
CID 19020191
ethyl N-[(E)-2-thiophen-3-ylethenyl]carbamate
CID 11849673
4-methyl-1-thiophen-3-ylpent-1-en-3-one
CID 54153375
methyl (Z)-3-thiophen-3-ylprop-2-enoate
CID 35026955
[(E)-2-thiophen-3-ylethenyl]phosphonic acid
CID 42604712
(E)-2-oxo-4-thiophen-3-ylbut-3-enoic acid
CID 18436648

Frequently Asked Questions

What is the IUPAC name of 3-[(1E)-4-methylpenta-1,4-dienyl]thiophene?
The IUPAC name of 3-[(1E)-4-methylpenta-1,4-dienyl]thiophene (CID 18954556) is 3-[(1E)-4-methylpenta-1,4-dienyl]thiophene.
What is the SMILES notation for 3-[(1E)-4-methylpenta-1,4-dienyl]thiophene?
The canonical SMILES for 3-[(1E)-4-methylpenta-1,4-dienyl]thiophene is C=C(C)C/C=C/c1ccsc1.
What is the InChIKey of 3-[(1E)-4-methylpenta-1,4-dienyl]thiophene?
The InChIKey is OKONOWSYEZBVFT-HWKANZROSA-N. The full InChI is InChI=1S/C10H12S/c1-9(2)4-3-5-10-6-7-11-8-10/h3,5-8H,1,4H2,2H3/b5-3+.
What are the key properties of 3-[(1E)-4-methylpenta-1,4-dienyl]thiophene?
3-[(1E)-4-methylpenta-1,4-dienyl]thiophene has a molecular weight of 164.27 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1E)-4-methylpenta-1,4-dienyl]thiophene is sourced from PubChem (CID 18954556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).