4-ethyl-1-(1-hydroxycyclohexyl)cyclohexane-1-carbonitrile

C15H25NO — CID 79118407

IUPAC4-ethyl-1-(1-hydroxycyclohexyl)cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)(C2(O)CCCCC2)CC1
InChIInChI=1S/C15H25NO/c1-2-13-6-10-14(12-16,11-7-13)15(17)8-4-3-5-9-15/h13,17H,2-11H2,1H3
InChIKeyFIPINARCXUMYRS-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.79
Rot. Bonds2

About 4-ethyl-1-(1-hydroxycyclohexyl)cyclohexane-1-carbonitrile

4-ethyl-1-(1-hydroxycyclohexyl)cyclohexane-1-carbonitrile (PubChem CID 79118407) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-ethyl-1-(1-hydroxycyclohexyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-ethyl-1-(1-hydroxycyclohexyl)cyclohexane-1-carbonitrile
PubChem CID79118407
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-ethyl-1-(1-hydroxycyclohexyl)cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)(C2(O)CCCCC2)CC1
InChIInChI=1S/C15H25NO/c1-2-13-6-10-14(12-16,11-7-13)15(17)8-4-3-5-9-15/h13,17H,2-11H2,1H3
InChIKeyFIPINARCXUMYRS-UHFFFAOYSA-N
XLogP3.79
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(1-hydroxycyclohexyl)cyclohexane-1-carbonitrile?
The IUPAC name of 4-ethyl-1-(1-hydroxycyclohexyl)cyclohexane-1-carbonitrile (CID 79118407) is 4-ethyl-1-(1-hydroxycyclohexyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-ethyl-1-(1-hydroxycyclohexyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-ethyl-1-(1-hydroxycyclohexyl)cyclohexane-1-carbonitrile is CCC1CCC(C#N)(C2(O)CCCCC2)CC1.
What is the InChIKey of 4-ethyl-1-(1-hydroxycyclohexyl)cyclohexane-1-carbonitrile?
The InChIKey is FIPINARCXUMYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-13-6-10-14(12-16,11-7-13)15(17)8-4-3-5-9-15/h13,17H,2-11H2,1H3.
What are the key properties of 4-ethyl-1-(1-hydroxycyclohexyl)cyclohexane-1-carbonitrile?
4-ethyl-1-(1-hydroxycyclohexyl)cyclohexane-1-carbonitrile has a molecular weight of 235.37 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(1-hydroxycyclohexyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79118407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).