5-decylcyclohex-2-en-1-one

C16H28O — CID 139985452

IUPAC5-decylcyclohex-2-en-1-one
SMILESCCCCCCCCCCC1CC=CC(=O)C1
InChIInChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-11-15-12-10-13-16(17)14-15/h10,13,15H,2-9,11-12,14H2,1H3
InChIKeyJHPDVLQOBNFNBE-UHFFFAOYSA-N
MW236.40 g/mol
LogP5.05
Rot. Bonds9

About 5-decylcyclohex-2-en-1-one

5-decylcyclohex-2-en-1-one (PubChem CID 139985452) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 5-decylcyclohex-2-en-1-one.

Molecular Properties

Compound Name5-decylcyclohex-2-en-1-one
PubChem CID139985452
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name5-decylcyclohex-2-en-1-one
SMILESCCCCCCCCCCC1CC=CC(=O)C1
InChIInChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-11-15-12-10-13-16(17)14-15/h10,13,15H,2-9,11-12,14H2,1H3
InChIKeyJHPDVLQOBNFNBE-UHFFFAOYSA-N
XLogP5.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.40
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-hexylcyclopentene
CID 10487053
4-undecylcyclopentane-1,2-dione
CID 54303237
5-(hydroxymethyl)cyclohex-2-en-1-one
CID 13073151
5-tridecylcyclohexane-1,3-dione
CID 71394051
1-bromo-4-hexyl(113C)cyclopentene
CID 10537515
2-nonyl-2,3-dihydropyran-6-one
CID 15825660
(2S)-2-heptyl-2,3-dihydropyran-4-one
CID 57164485
4-tetradecylcyclohexene
CID 54499913
4-dodecyl-1-methylpyrrolidin-2-one
CID 175232910
4-nonylpyrrolidin-2-one
CID 143116205
4-hexylpyrrolidin-2-one
CID 18921442
(2S)-2-pentyl-2,3-dihydropyran-6-one;(2R)-2-pentyl-2,3-dihydropyran-6-one
CID 91936907

Frequently Asked Questions

What is the IUPAC name of 5-decylcyclohex-2-en-1-one?
The IUPAC name of 5-decylcyclohex-2-en-1-one (CID 139985452) is 5-decylcyclohex-2-en-1-one.
What is the SMILES notation for 5-decylcyclohex-2-en-1-one?
The canonical SMILES for 5-decylcyclohex-2-en-1-one is CCCCCCCCCCC1CC=CC(=O)C1.
What is the InChIKey of 5-decylcyclohex-2-en-1-one?
The InChIKey is JHPDVLQOBNFNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-11-15-12-10-13-16(17)14-15/h10,13,15H,2-9,11-12,14H2,1H3.
What are the key properties of 5-decylcyclohex-2-en-1-one?
5-decylcyclohex-2-en-1-one has a molecular weight of 236.40 g/mol, XLogP of 5.05, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decylcyclohex-2-en-1-one is sourced from PubChem (CID 139985452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).