1-cyclohexyl-3-methylbutan-2-one;thiophene

C15H24OS — CID 174439786

IUPAC1-cyclohexyl-3-methylbutan-2-one;thiophene
SMILESCC(C)C(=O)CC1CCCCC1.c1ccsc1
InChIInChI=1S/C11H20O.C4H4S/c1-9(2)11(12)8-10-6-4-3-5-7-10;1-2-4-5-3-1/h9-10H,3-8H2,1-2H3;1-4H
InChIKeyAGWVSODTUQZWIO-UHFFFAOYSA-N
MW252.42 g/mol
LogP4.93
Rot. Bonds3

About 1-cyclohexyl-3-methylbutan-2-one;thiophene

1-cyclohexyl-3-methylbutan-2-one;thiophene (PubChem CID 174439786) has the molecular formula C15H24OS and a molecular weight of 252.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-methylbutan-2-one;thiophene.

Molecular Properties

Compound Name1-cyclohexyl-3-methylbutan-2-one;thiophene
PubChem CID174439786
Molecular FormulaC15H24OS
Molecular Weight252.42 g/mol
Exact Mass252.15
IUPAC Name1-cyclohexyl-3-methylbutan-2-one;thiophene
SMILESCC(C)C(=O)CC1CCCCC1.c1ccsc1
InChIInChI=1S/C11H20O.C4H4S/c1-9(2)11(12)8-10-6-4-3-5-7-10;1-2-4-5-3-1/h9-10H,3-8H2,1-2H3;1-4H
InChIKeyAGWVSODTUQZWIO-UHFFFAOYSA-N
XLogP4.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.42
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-methylbutan-2-one;thiophene
CID 174398739
1-cyclopentylpropan-2-one;thiophene
CID 174397115
1-cyclopentyl-3-hydroxybutan-2-one
CID 103451317
(3R)-3-amino-1-cyclohexyl-4-methylpentan-2-one
CID 58418389
1-cyclohexyl-3-ethylpentan-2-one
CID 114967631
3-methyl-1-[4-(2-methylpropyl)cyclohexyl]butan-2-one
CID 153444618
ethane;3-methyl-1-piperidin-4-ylbutan-2-one
CID 172604297
1-cyclohexyl-4-methyl-3-phenylhexan-2-one
CID 114967641
2-methyl-1-(oxan-2-yl)propan-1-one;thiophene
CID 174401810
4-cyclopentyl-2-methyl-3-oxobutanenitrile
CID 60758153
3-methyl-1-(3-methylcyclohexyl)butan-2-one;propane
CID 170590259
1-cyclopentyl-3-hydroxypentan-2-one
CID 103452923

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-methylbutan-2-one;thiophene?
The IUPAC name of 1-cyclohexyl-3-methylbutan-2-one;thiophene (CID 174439786) is 1-cyclohexyl-3-methylbutan-2-one;thiophene.
What is the SMILES notation for 1-cyclohexyl-3-methylbutan-2-one;thiophene?
The canonical SMILES for 1-cyclohexyl-3-methylbutan-2-one;thiophene is CC(C)C(=O)CC1CCCCC1.c1ccsc1.
What is the InChIKey of 1-cyclohexyl-3-methylbutan-2-one;thiophene?
The InChIKey is AGWVSODTUQZWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O.C4H4S/c1-9(2)11(12)8-10-6-4-3-5-7-10;1-2-4-5-3-1/h9-10H,3-8H2,1-2H3;1-4H.
What are the key properties of 1-cyclohexyl-3-methylbutan-2-one;thiophene?
1-cyclohexyl-3-methylbutan-2-one;thiophene has a molecular weight of 252.42 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methylbutan-2-one;thiophene is sourced from PubChem (CID 174439786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).