3-(4-tert-butylcyclohexyl)-2-ethoxypropanenitrile

C15H27NO — CID 15169236

IUPAC3-(4-tert-butylcyclohexyl)-2-ethoxypropanenitrile
SMILESCCOC(C#N)CC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H27NO/c1-5-17-14(11-16)10-12-6-8-13(9-7-12)15(2,3)4/h12-14H,5-10H2,1-4H3
InChIKeyHHICZWCMTNZVRA-UHFFFAOYSA-N
MW237.39 g/mol
LogP4.16
Rot. Bonds4

About 3-(4-tert-butylcyclohexyl)-2-ethoxypropanenitrile

3-(4-tert-butylcyclohexyl)-2-ethoxypropanenitrile (PubChem CID 15169236) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-(4-tert-butylcyclohexyl)-2-ethoxypropanenitrile.

Molecular Properties

Compound Name3-(4-tert-butylcyclohexyl)-2-ethoxypropanenitrile
PubChem CID15169236
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3-(4-tert-butylcyclohexyl)-2-ethoxypropanenitrile
SMILESCCOC(C#N)CC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H27NO/c1-5-17-14(11-16)10-12-6-8-13(9-7-12)15(2,3)4/h12-14H,5-10H2,1-4H3
InChIKeyHHICZWCMTNZVRA-UHFFFAOYSA-N
XLogP4.16
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylcyclohexyl)-2-ethoxypropanenitrile?
The IUPAC name of 3-(4-tert-butylcyclohexyl)-2-ethoxypropanenitrile (CID 15169236) is 3-(4-tert-butylcyclohexyl)-2-ethoxypropanenitrile.
What is the SMILES notation for 3-(4-tert-butylcyclohexyl)-2-ethoxypropanenitrile?
The canonical SMILES for 3-(4-tert-butylcyclohexyl)-2-ethoxypropanenitrile is CCOC(C#N)CC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 3-(4-tert-butylcyclohexyl)-2-ethoxypropanenitrile?
The InChIKey is HHICZWCMTNZVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-5-17-14(11-16)10-12-6-8-13(9-7-12)15(2,3)4/h12-14H,5-10H2,1-4H3.
What are the key properties of 3-(4-tert-butylcyclohexyl)-2-ethoxypropanenitrile?
3-(4-tert-butylcyclohexyl)-2-ethoxypropanenitrile has a molecular weight of 237.39 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylcyclohexyl)-2-ethoxypropanenitrile is sourced from PubChem (CID 15169236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).