1-(cyclohexen-1-yl)-4-thiophen-2-ylbutan-1-one

C14H18OS — CID 106656095

IUPAC1-(cyclohexen-1-yl)-4-thiophen-2-ylbutan-1-one
SMILESO=C(CCCc1cccs1)C1=CCCCC1
InChIInChI=1S/C14H18OS/c15-14(12-6-2-1-3-7-12)10-4-8-13-9-5-11-16-13/h5-6,9,11H,1-4,7-8,10H2
InChIKeyOLDTWYMKNWUELE-UHFFFAOYSA-N
MW234.36 g/mol
LogP4.14
Rot. Bonds5

About 1-(cyclohexen-1-yl)-4-thiophen-2-ylbutan-1-one

1-(cyclohexen-1-yl)-4-thiophen-2-ylbutan-1-one (PubChem CID 106656095) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-4-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-4-thiophen-2-ylbutan-1-one
PubChem CID106656095
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name1-(cyclohexen-1-yl)-4-thiophen-2-ylbutan-1-one
SMILESO=C(CCCc1cccs1)C1=CCCCC1
InChIInChI=1S/C14H18OS/c15-14(12-6-2-1-3-7-12)10-4-8-13-9-5-11-16-13/h5-6,9,11H,1-4,7-8,10H2
InChIKeyOLDTWYMKNWUELE-UHFFFAOYSA-N
XLogP4.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohepten-1-yl)-2-thiophen-2-ylethanone
CID 103450496
4-thiophen-2-ylbutanoic acid;2,2,2-trifluoroacetic acid
CID 174398681
1-cyclopentyl-5-thiophen-2-ylpentan-2-one
CID 105092183
1-(cyclohepten-1-yl)-4-ethylsulfonylbutan-1-one
CID 103450590
1-(3,4-dichlorophenyl)-4-thiophen-2-ylbutan-1-one
CID 105076244
1-(cyclohexen-1-yl)-3-pyridin-3-ylpropan-1-one
CID 106656072
6-thiophen-2-ylhexanamide
CID 137320292
N-(2,3-dihydroxypropyl)-4-thiophen-2-ylbutanamide
CID 66178126
5-amino-1-(cycloocten-1-yl)hexan-1-one
CID 106655703
2-(cyclohexen-1-yl)-N-(2-thiophen-2-ylethyl)ethanamine
CID 63773625
1-(5-methoxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one
CID 105123969
1-(2,5-dimethoxyphenyl)-4-thiophen-2-ylbutan-1-one
CID 105098364

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-4-thiophen-2-ylbutan-1-one?
The IUPAC name of 1-(cyclohexen-1-yl)-4-thiophen-2-ylbutan-1-one (CID 106656095) is 1-(cyclohexen-1-yl)-4-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 1-(cyclohexen-1-yl)-4-thiophen-2-ylbutan-1-one?
The canonical SMILES for 1-(cyclohexen-1-yl)-4-thiophen-2-ylbutan-1-one is O=C(CCCc1cccs1)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-4-thiophen-2-ylbutan-1-one?
The InChIKey is OLDTWYMKNWUELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18OS/c15-14(12-6-2-1-3-7-12)10-4-8-13-9-5-11-16-13/h5-6,9,11H,1-4,7-8,10H2.
What are the key properties of 1-(cyclohexen-1-yl)-4-thiophen-2-ylbutan-1-one?
1-(cyclohexen-1-yl)-4-thiophen-2-ylbutan-1-one has a molecular weight of 234.36 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-4-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 106656095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).