2-(1-buta-1,3-dienoxyethyl)thiophene

C10H12OS — CID 118966158

IUPAC2-(1-buta-1,3-dienoxyethyl)thiophene
SMILESC=CC=COC(C)c1cccs1
InChIInChI=1S/C10H12OS/c1-3-4-7-11-9(2)10-6-5-8-12-10/h3-9H,1H2,2H3
InChIKeyPCTCXZBWFQNILJ-UHFFFAOYSA-N
MW180.27 g/mol
LogP3.53
Rot. Bonds4

About 2-(1-buta-1,3-dienoxyethyl)thiophene

2-(1-buta-1,3-dienoxyethyl)thiophene (PubChem CID 118966158) has the molecular formula C10H12OS and a molecular weight of 180.27 g/mol. Its IUPAC name is 2-(1-buta-1,3-dienoxyethyl)thiophene.

Molecular Properties

Compound Name2-(1-buta-1,3-dienoxyethyl)thiophene
PubChem CID118966158
Molecular FormulaC10H12OS
Molecular Weight180.27 g/mol
Exact Mass180.06
IUPAC Name2-(1-buta-1,3-dienoxyethyl)thiophene
SMILESC=CC=COC(C)c1cccs1
InChIInChI=1S/C10H12OS/c1-3-4-7-11-9(2)10-6-5-8-12-10/h3-9H,1H2,2H3
InChIKeyPCTCXZBWFQNILJ-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-propan-2-ylthiophene
CID 178128598
(1R,2S)-2-methyl-1-thiophen-2-ylbut-3-en-1-ol
CID 11651207
2-[(2S,3S)-3-bromobutan-2-yl]thiophene
CID 97044464
N-(1-thiophen-2-ylbut-3-enyl)pent-4-en-2-amine
CID 102574543
N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide
CID 81408740
2-[(1R)-1-[(1R)-1-thiophen-2-ylprop-2-enyl]sulfanylprop-2-enyl]thiophene
CID 141305059
2-bromo-1-thiophen-2-ylpropan-1-ol
CID 116863277
N-[(4-prop-2-enoxyphenyl)methyl]-1-thiophen-2-ylethanamine
CID 43182769
(3R)-2-methylidene-3-thiophen-2-ylbutanal
CID 125486336
(1R)-N-methoxy-1-thiophen-2-ylethanamine
CID 124574743
ethane;phenol;2-propan-2-ylthiophene
CID 161233504
N-[(1R,2R)-1-methoxy-1-thiophen-2-ylbut-3-en-2-yl]acetamide
CID 164672058

Frequently Asked Questions

What is the IUPAC name of 2-(1-buta-1,3-dienoxyethyl)thiophene?
The IUPAC name of 2-(1-buta-1,3-dienoxyethyl)thiophene (CID 118966158) is 2-(1-buta-1,3-dienoxyethyl)thiophene.
What is the SMILES notation for 2-(1-buta-1,3-dienoxyethyl)thiophene?
The canonical SMILES for 2-(1-buta-1,3-dienoxyethyl)thiophene is C=CC=COC(C)c1cccs1.
What is the InChIKey of 2-(1-buta-1,3-dienoxyethyl)thiophene?
The InChIKey is PCTCXZBWFQNILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12OS/c1-3-4-7-11-9(2)10-6-5-8-12-10/h3-9H,1H2,2H3.
What are the key properties of 2-(1-buta-1,3-dienoxyethyl)thiophene?
2-(1-buta-1,3-dienoxyethyl)thiophene has a molecular weight of 180.27 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-buta-1,3-dienoxyethyl)thiophene is sourced from PubChem (CID 118966158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).