2-methylnon-2-en-4-yn-3-ylcyclohexane

C16H26 — CID 102381380

IUPAC2-methylnon-2-en-4-yn-3-ylcyclohexane
SMILESCCCCC#CC(=C(C)C)C1CCCCC1
InChIInChI=1S/C16H26/c1-4-5-6-10-13-16(14(2)3)15-11-8-7-9-12-15/h15H,4-9,11-12H2,1-3H3
InChIKeyBEKIPQKIQYJQFZ-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.10
Rot. Bonds3

About 2-methylnon-2-en-4-yn-3-ylcyclohexane

2-methylnon-2-en-4-yn-3-ylcyclohexane (PubChem CID 102381380) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 2-methylnon-2-en-4-yn-3-ylcyclohexane.

Molecular Properties

Compound Name2-methylnon-2-en-4-yn-3-ylcyclohexane
PubChem CID102381380
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name2-methylnon-2-en-4-yn-3-ylcyclohexane
SMILESCCCCC#CC(=C(C)C)C1CCCCC1
InChIInChI=1S/C16H26/c1-4-5-6-10-13-16(14(2)3)15-11-8-7-9-12-15/h15H,4-9,11-12H2,1-3H3
InChIKeyBEKIPQKIQYJQFZ-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexylhex-2-yn-1-one
CID 100923593
1-[ethoxy(hex-1-ynyl)phosphoryl]oxyethenylcyclohexane
CID 118218015
dodec-1-ynylcycloheptane
CID 11579803
dicyclohexyl(tetradec-1-ynyl)phosphane
CID 102108656
2,2-dimethylnon-4-yn-3-one
CID 10773384
1-cycloheptylpentan-1-one
CID 65399298
2-cyclohexyl-3-pentylbut-2-enedioic acid
CID 123802855
1-cyclohexyldecan-1-one
CID 63409715
non-4-yn-3-one
CID 10887980
(5S,9aR)-5-hex-1-ynyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
CID 101105437
2-hept-1-ynyl-1-methylazepane
CID 15627450
pentadeca-5,10-diyne
CID 15530767

Frequently Asked Questions

What is the IUPAC name of 2-methylnon-2-en-4-yn-3-ylcyclohexane?
The IUPAC name of 2-methylnon-2-en-4-yn-3-ylcyclohexane (CID 102381380) is 2-methylnon-2-en-4-yn-3-ylcyclohexane.
What is the SMILES notation for 2-methylnon-2-en-4-yn-3-ylcyclohexane?
The canonical SMILES for 2-methylnon-2-en-4-yn-3-ylcyclohexane is CCCCC#CC(=C(C)C)C1CCCCC1.
What is the InChIKey of 2-methylnon-2-en-4-yn-3-ylcyclohexane?
The InChIKey is BEKIPQKIQYJQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-4-5-6-10-13-16(14(2)3)15-11-8-7-9-12-15/h15H,4-9,11-12H2,1-3H3.
What are the key properties of 2-methylnon-2-en-4-yn-3-ylcyclohexane?
2-methylnon-2-en-4-yn-3-ylcyclohexane has a molecular weight of 218.38 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylnon-2-en-4-yn-3-ylcyclohexane is sourced from PubChem (CID 102381380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).