4-ethyl-1-(2-hydroxycyclohexyl)octan-1-one

C16H30O2 — CID 143081263

IUPAC4-ethyl-1-(2-hydroxycyclohexyl)octan-1-one
SMILESCCCCC(CC)CCC(=O)C1CCCCC1O
InChIInChI=1S/C16H30O2/c1-3-5-8-13(4-2)11-12-16(18)14-9-6-7-10-15(14)17/h13-15,17H,3-12H2,1-2H3
InChIKeyRDGGBIWMECEQNG-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.10
Rot. Bonds8

About 4-ethyl-1-(2-hydroxycyclohexyl)octan-1-one

4-ethyl-1-(2-hydroxycyclohexyl)octan-1-one (PubChem CID 143081263) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 4-ethyl-1-(2-hydroxycyclohexyl)octan-1-one.

Molecular Properties

Compound Name4-ethyl-1-(2-hydroxycyclohexyl)octan-1-one
PubChem CID143081263
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name4-ethyl-1-(2-hydroxycyclohexyl)octan-1-one
SMILESCCCCC(CC)CCC(=O)C1CCCCC1O
InChIInChI=1S/C16H30O2/c1-3-5-8-13(4-2)11-12-16(18)14-9-6-7-10-15(14)17/h13-15,17H,3-12H2,1-2H3
InChIKeyRDGGBIWMECEQNG-UHFFFAOYSA-N
XLogP4.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylhexylamino)cyclohexan-1-ol
CID 60714898
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CID 66919623
6-amino-1-cycloheptyl-4-ethylhexan-1-one
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cyclohexane-1,2-dicarboxylic acid;5-ethyl-9-hydroxy-2-methylidenenonanoic acid
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N'-cyclododecyl-N-[(2S)-2-ethylhexyl]butanediamide
CID 7298055
1-(2-ethylhexyl)pyrrolidine-3,4-diol
CID 106672045
(3R)-N-[(2R)-2-ethylhexyl]-3-hydroxypiperidine-1-carboxamide
CID 97027498
N-(2-ethylhexyl)-3-hydroxypiperidine-1-carboxamide
CID 71943752
7-ethylundecan-3-one
CID 64522719
2-ethylhexyl 3-cyclopentylpropanoate
CID 543877
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CID 114963771

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-hydroxycyclohexyl)octan-1-one?
The IUPAC name of 4-ethyl-1-(2-hydroxycyclohexyl)octan-1-one (CID 143081263) is 4-ethyl-1-(2-hydroxycyclohexyl)octan-1-one.
What is the SMILES notation for 4-ethyl-1-(2-hydroxycyclohexyl)octan-1-one?
The canonical SMILES for 4-ethyl-1-(2-hydroxycyclohexyl)octan-1-one is CCCCC(CC)CCC(=O)C1CCCCC1O.
What is the InChIKey of 4-ethyl-1-(2-hydroxycyclohexyl)octan-1-one?
The InChIKey is RDGGBIWMECEQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-3-5-8-13(4-2)11-12-16(18)14-9-6-7-10-15(14)17/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 4-ethyl-1-(2-hydroxycyclohexyl)octan-1-one?
4-ethyl-1-(2-hydroxycyclohexyl)octan-1-one has a molecular weight of 254.41 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-hydroxycyclohexyl)octan-1-one is sourced from PubChem (CID 143081263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).