2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile

C15H23NO — CID 43292822

IUPAC2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile
SMILESCC1CC=CCC1COC1CCCCC1C#N
InChIInChI=1S/C15H23NO/c1-12-6-2-3-8-14(12)11-17-15-9-5-4-7-13(15)10-16/h2-3,12-15H,4-9,11H2,1H3
InChIKeyGEOHKVMNMNYYGD-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.69
Rot. Bonds3

About 2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile

2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile (PubChem CID 43292822) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile
PubChem CID43292822
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile
SMILESCC1CC=CCC1COC1CCCCC1C#N
InChIInChI=1S/C15H23NO/c1-12-6-2-3-8-14(12)11-17-15-9-5-4-7-13(15)10-16/h2-3,12-15H,4-9,11H2,1H3
InChIKeyGEOHKVMNMNYYGD-UHFFFAOYSA-N
XLogP3.69
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile (CID 43292822) is 2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile is CC1CC=CCC1COC1CCCCC1C#N.
What is the InChIKey of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile?
The InChIKey is GEOHKVMNMNYYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-6-2-3-8-14(12)11-17-15-9-5-4-7-13(15)10-16/h2-3,12-15H,4-9,11H2,1H3.
What are the key properties of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile?
2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile has a molecular weight of 233.35 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile is sourced from PubChem (CID 43292822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).