1-(1-methoxycyclohexyl)cyclohexane-1-carbonitrile

C14H23NO — CID 12024037

IUPAC1-(1-methoxycyclohexyl)cyclohexane-1-carbonitrile
SMILESCOC1(C2(C#N)CCCCC2)CCCCC1
InChIInChI=1S/C14H23NO/c1-16-14(10-6-3-7-11-14)13(12-15)8-4-2-5-9-13/h2-11H2,1H3
InChIKeyWAQHTYSEJOABQJ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.81
Rot. Bonds2

About 1-(1-methoxycyclohexyl)cyclohexane-1-carbonitrile

1-(1-methoxycyclohexyl)cyclohexane-1-carbonitrile (PubChem CID 12024037) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(1-methoxycyclohexyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-methoxycyclohexyl)cyclohexane-1-carbonitrile
PubChem CID12024037
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(1-methoxycyclohexyl)cyclohexane-1-carbonitrile
SMILESCOC1(C2(C#N)CCCCC2)CCCCC1
InChIInChI=1S/C14H23NO/c1-16-14(10-6-3-7-11-14)13(12-15)8-4-2-5-9-13/h2-11H2,1H3
InChIKeyWAQHTYSEJOABQJ-UHFFFAOYSA-N
XLogP3.81
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclohexyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(1-methoxycyclohexyl)cyclohexane-1-carbonitrile (CID 12024037) is 1-(1-methoxycyclohexyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(1-methoxycyclohexyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(1-methoxycyclohexyl)cyclohexane-1-carbonitrile is COC1(C2(C#N)CCCCC2)CCCCC1.
What is the InChIKey of 1-(1-methoxycyclohexyl)cyclohexane-1-carbonitrile?
The InChIKey is WAQHTYSEJOABQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-16-14(10-6-3-7-11-14)13(12-15)8-4-2-5-9-13/h2-11H2,1H3.
What are the key properties of 1-(1-methoxycyclohexyl)cyclohexane-1-carbonitrile?
1-(1-methoxycyclohexyl)cyclohexane-1-carbonitrile has a molecular weight of 221.34 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclohexyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 12024037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).