4,4-diethyl-2-pentylcyclohexan-1-one

C15H28O — CID 175308154

IUPAC4,4-diethyl-2-pentylcyclohexan-1-one
SMILESCCCCCC1CC(CC)(CC)CCC1=O
InChIInChI=1S/C15H28O/c1-4-7-8-9-13-12-15(5-2,6-3)11-10-14(13)16/h13H,4-12H2,1-3H3
InChIKeyOBULAVFKGGTUKI-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.74
Rot. Bonds6

About 4,4-diethyl-2-pentylcyclohexan-1-one

4,4-diethyl-2-pentylcyclohexan-1-one (PubChem CID 175308154) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 4,4-diethyl-2-pentylcyclohexan-1-one.

Molecular Properties

Compound Name4,4-diethyl-2-pentylcyclohexan-1-one
PubChem CID175308154
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name4,4-diethyl-2-pentylcyclohexan-1-one
SMILESCCCCCC1CC(CC)(CC)CCC1=O
InChIInChI=1S/C15H28O/c1-4-7-8-9-13-12-15(5-2,6-3)11-10-14(13)16/h13H,4-12H2,1-3H3
InChIKeyOBULAVFKGGTUKI-UHFFFAOYSA-N
XLogP4.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.74
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

2-decylcyclopentan-1-one
CID 12823821
(2R)-2-pentylcyclohexan-1-one
CID 86310435
2-pentadecylcyclopropan-1-one
CID 70874004
2-nonylcyclododecan-1-one
CID 14296722
2-decyl-4-methylcyclohexan-1-one
CID 55185770
2-butyl-4-(dimethylamino)cyclohexan-1-one
CID 150896185
carbon monoxide;cobalt;2-hexylcyclohexan-1-one
CID 134877528
2-butylcyclopentan-1-one;N,N-dimethylmethanamine
CID 145289923
formic acid;2-pentylcyclohexan-1-one
CID 174877274
(4R)-4-hexylcyclopentane-1,3-dione
CID 162980596
2-butylcyclopentan-1-one;methanamine
CID 174247706
7-(4-chlorobutyl)-1,4-dioxaspiro[4.5]decan-8-one
CID 121003180

Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-2-pentylcyclohexan-1-one?
The IUPAC name of 4,4-diethyl-2-pentylcyclohexan-1-one (CID 175308154) is 4,4-diethyl-2-pentylcyclohexan-1-one.
What is the SMILES notation for 4,4-diethyl-2-pentylcyclohexan-1-one?
The canonical SMILES for 4,4-diethyl-2-pentylcyclohexan-1-one is CCCCCC1CC(CC)(CC)CCC1=O.
What is the InChIKey of 4,4-diethyl-2-pentylcyclohexan-1-one?
The InChIKey is OBULAVFKGGTUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-4-7-8-9-13-12-15(5-2,6-3)11-10-14(13)16/h13H,4-12H2,1-3H3.
What are the key properties of 4,4-diethyl-2-pentylcyclohexan-1-one?
4,4-diethyl-2-pentylcyclohexan-1-one has a molecular weight of 224.39 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-2-pentylcyclohexan-1-one is sourced from PubChem (CID 175308154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).