2-(4-tert-butylcyclohexyl)oxolane-3-carbonitrile

C15H25NO — CID 113428588

IUPAC2-(4-tert-butylcyclohexyl)oxolane-3-carbonitrile
SMILESCC(C)(C)C1CCC(C2OCCC2C#N)CC1
InChIInChI=1S/C15H25NO/c1-15(2,3)13-6-4-11(5-7-13)14-12(10-16)8-9-17-14/h11-14H,4-9H2,1-3H3
InChIKeyJGPPRTAWJFBPLK-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.77
Rot. Bonds1

About 2-(4-tert-butylcyclohexyl)oxolane-3-carbonitrile

2-(4-tert-butylcyclohexyl)oxolane-3-carbonitrile (PubChem CID 113428588) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)oxolane-3-carbonitrile.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)oxolane-3-carbonitrile
PubChem CID113428588
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(4-tert-butylcyclohexyl)oxolane-3-carbonitrile
SMILESCC(C)(C)C1CCC(C2OCCC2C#N)CC1
InChIInChI=1S/C15H25NO/c1-15(2,3)13-6-4-11(5-7-13)14-12(10-16)8-9-17-14/h11-14H,4-9H2,1-3H3
InChIKeyJGPPRTAWJFBPLK-UHFFFAOYSA-N
XLogP3.77
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-tert-butylcyclohexyl)oxolan-3-yl]methanamine
CID 104575993
2-(4-tert-butylcyclohexyl)oxolane-3-carboxylic acid
CID 104575992
4-tert-butyl-2-iodocyclohexane-1-carbonitrile
CID 14510688
2-(2,2-dimethylpropyl)oxolane-3-carbonitrile
CID 79367556
2-(4-tert-butylcyclohexyl)oxirane
CID 104575962
(2S,3R)-2-(4-methylphenyl)oxolane-3-carbonitrile
CID 102375456
4-tert-butyl-2-ethoxycyclohexane-1-carbonitrile
CID 43292132
2-(4-tert-butylcyclohexyl)-2-hydroxyacetonitrile
CID 104575709
[4-[4-[2-(4-tert-butylcyclohexyl)propan-2-yl]cyclohexyl]cyclohexyl] thiocyanate
CID 146181260
4-tert-butyl-2-propan-2-ylsulfonylcyclohexane-1-carbonitrile
CID 64691840
2-(benzenesulfonyl)-4-tert-butylcyclohexane-1-carbonitrile
CID 64689938
(6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 163594028

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexyl)oxolane-3-carbonitrile?
The IUPAC name of 2-(4-tert-butylcyclohexyl)oxolane-3-carbonitrile (CID 113428588) is 2-(4-tert-butylcyclohexyl)oxolane-3-carbonitrile.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)oxolane-3-carbonitrile?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)oxolane-3-carbonitrile is CC(C)(C)C1CCC(C2OCCC2C#N)CC1.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)oxolane-3-carbonitrile?
The InChIKey is JGPPRTAWJFBPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-15(2,3)13-6-4-11(5-7-13)14-12(10-16)8-9-17-14/h11-14H,4-9H2,1-3H3.
What are the key properties of 2-(4-tert-butylcyclohexyl)oxolane-3-carbonitrile?
2-(4-tert-butylcyclohexyl)oxolane-3-carbonitrile has a molecular weight of 235.37 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)oxolane-3-carbonitrile is sourced from PubChem (CID 113428588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).