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

C10H15NO — CID 43128836

IUPAC2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetonitrile
SMILESCC1CC=CCC1COCC#N
InChIInChI=1S/C10H15NO/c1-9-4-2-3-5-10(9)8-12-7-6-11/h2-3,9-10H,4-5,7-8H2,1H3
InChIKeyXUFIZSFGQHSRKX-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.13
Rot. Bonds3

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

2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetonitrile (PubChem CID 43128836) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetonitrile.

Molecular Properties

Compound Name2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetonitrile
PubChem CID43128836
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetonitrile
SMILESCC1CC=CCC1COCC#N
InChIInChI=1S/C10H15NO/c1-9-4-2-3-5-10(9)8-12-7-6-11/h2-3,9-10H,4-5,7-8H2,1H3
InChIKeyXUFIZSFGQHSRKX-UHFFFAOYSA-N
XLogP2.13
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-4-[(6-methylcyclohex-3-en-1-yl)methoxy]butanenitrile
CID 65256273
N-(2-cyanoethyl)-N-methyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetamide
CID 43289810
2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid
CID 43128760
2-[(6-methylcyclohex-3-en-1-yl)methoxy]cyclohexane-1-carbonitrile
CID 43292822
(5R)-4-ethyl-5-methylcyclohexene
CID 154516565
1-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-2-one
CID 62044489
N-tert-butyl-2,2-dimethyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine
CID 79628383
1-methoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]propan-2-amine
CID 55088057
ethyl 2-methyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propanoate
CID 115002709
1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(propan-2-ylamino)propan-2-ol
CID 60903069
2-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine
CID 62455176
ethyl 4-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-oxobutanoate
CID 63893049

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetonitrile?
The IUPAC name of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetonitrile (CID 43128836) is 2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetonitrile.
What is the SMILES notation for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetonitrile?
The canonical SMILES for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetonitrile is CC1CC=CCC1COCC#N.
What is the InChIKey of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetonitrile?
The InChIKey is XUFIZSFGQHSRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-9-4-2-3-5-10(9)8-12-7-6-11/h2-3,9-10H,4-5,7-8H2,1H3.
What are the key properties of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetonitrile?
2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetonitrile has a molecular weight of 165.24 g/mol, XLogP of 2.13, 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]acetonitrile is sourced from PubChem (CID 43128836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).