1-(4-tert-butylcyclohexyl)-2-(furan-2-yl)ethanone

C16H24O2 — CID 83171692

IUPAC1-(4-tert-butylcyclohexyl)-2-(furan-2-yl)ethanone
SMILESCC(C)(C)C1CCC(C(=O)Cc2ccco2)CC1
InChIInChI=1S/C16H24O2/c1-16(2,3)13-8-6-12(7-9-13)15(17)11-14-5-4-10-18-14/h4-5,10,12-13H,6-9,11H2,1-3H3
InChIKeyYAVGVVZNXAEZAD-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.24
Rot. Bonds3

About 1-(4-tert-butylcyclohexyl)-2-(furan-2-yl)ethanone

1-(4-tert-butylcyclohexyl)-2-(furan-2-yl)ethanone (PubChem CID 83171692) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-2-(furan-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-2-(furan-2-yl)ethanone
PubChem CID83171692
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-(4-tert-butylcyclohexyl)-2-(furan-2-yl)ethanone
SMILESCC(C)(C)C1CCC(C(=O)Cc2ccco2)CC1
InChIInChI=1S/C16H24O2/c1-16(2,3)13-8-6-12(7-9-13)15(17)11-14-5-4-10-18-14/h4-5,10,12-13H,6-9,11H2,1-3H3
InChIKeyYAVGVVZNXAEZAD-UHFFFAOYSA-N
XLogP4.24
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2-(furan-2-yl)ethanone
CID 83172331
1-(4-tert-butylcyclohexyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307912
1-(4-tert-butylcyclohexyl)-2-(4-methylphenyl)ethanone
CID 63527515
1-(4-tert-butylcyclohexyl)-2-(5-chlorothiophen-2-yl)ethanone
CID 65402113
2-cyclopropyl-1-(furan-2-yl)propan-2-ol
CID 83172016
4-tert-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine
CID 65020416
4-tert-butyl-N-(furan-2-ylmethyl)cycloheptan-1-amine
CID 65090187
3-amino-1-(furan-2-yl)-3-methylbutan-2-one
CID 82413823
(4-tert-butylcyclohexyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 35523855
2-(furan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 105125804
2-cyclopropyl-2-[2-(furan-2-yl)ethylamino]propanoic acid
CID 114987433
2-(furan-2-yl)-1-(2-phenylcyclopropyl)ethanone
CID 115795569

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-2-(furan-2-yl)ethanone?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-2-(furan-2-yl)ethanone (CID 83171692) is 1-(4-tert-butylcyclohexyl)-2-(furan-2-yl)ethanone.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-2-(furan-2-yl)ethanone?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-2-(furan-2-yl)ethanone is CC(C)(C)C1CCC(C(=O)Cc2ccco2)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-2-(furan-2-yl)ethanone?
The InChIKey is YAVGVVZNXAEZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-16(2,3)13-8-6-12(7-9-13)15(17)11-14-5-4-10-18-14/h4-5,10,12-13H,6-9,11H2,1-3H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-2-(furan-2-yl)ethanone?
1-(4-tert-butylcyclohexyl)-2-(furan-2-yl)ethanone has a molecular weight of 248.37 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-2-(furan-2-yl)ethanone is sourced from PubChem (CID 83171692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).