2-decylcyclopentan-1-one

C15H28O — CID 12823821

IUPAC2-decylcyclopentan-1-one
SMILESCCCCCCCCCCC1CCCC1=O
InChIInChI=1S/C15H28O/c1-2-3-4-5-6-7-8-9-11-14-12-10-13-15(14)16/h14H,2-13H2,1H3
InChIKeyPTOACBYSKQZNTQ-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.89
Rot. Bonds9

About 2-decylcyclopentan-1-one

2-decylcyclopentan-1-one (PubChem CID 12823821) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-decylcyclopentan-1-one.

Molecular Properties

Compound Name2-decylcyclopentan-1-one
PubChem CID12823821
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2-decylcyclopentan-1-one
SMILESCCCCCCCCCCC1CCCC1=O
InChIInChI=1S/C15H28O/c1-2-3-4-5-6-7-8-9-11-14-12-10-13-15(14)16/h14H,2-13H2,1H3
InChIKeyPTOACBYSKQZNTQ-UHFFFAOYSA-N
XLogP4.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.89
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-nonylcyclododecan-1-one
CID 14296722
(2R)-2-pentylcyclohexan-1-one
CID 86310435
carbon monoxide;cobalt;2-hexylcyclohexan-1-one
CID 134877528
2-butylcyclopentan-1-one;methanamine
CID 174247706
2-butylcyclopentan-1-one;N,N-dimethylmethanamine
CID 145289923
formic acid;2-pentylcyclohexan-1-one
CID 174877274
hexyl-methyl-[6-(2-oxocyclohexyl)hexyl]sulfanium
CID 151800654
2-butylcyclohexan-1-one;ethene
CID 174843360
2-heptylcyclopentan-1-one;2-(2-pentylcyclopentyl)acetic acid
CID 18690762
1,1'-biphenyl;2-pentylcyclohexan-1-one
CID 174847446
2-octylcyclohexane-1,3-dione
CID 102322610
3-pentylcyclohexane-1,2-dione
CID 67378390

Frequently Asked Questions

What is the IUPAC name of 2-decylcyclopentan-1-one?
The IUPAC name of 2-decylcyclopentan-1-one (CID 12823821) is 2-decylcyclopentan-1-one.
What is the SMILES notation for 2-decylcyclopentan-1-one?
The canonical SMILES for 2-decylcyclopentan-1-one is CCCCCCCCCCC1CCCC1=O.
What is the InChIKey of 2-decylcyclopentan-1-one?
The InChIKey is PTOACBYSKQZNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-2-3-4-5-6-7-8-9-11-14-12-10-13-15(14)16/h14H,2-13H2,1H3.
What are the key properties of 2-decylcyclopentan-1-one?
2-decylcyclopentan-1-one has a molecular weight of 224.39 g/mol, XLogP of 4.89, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decylcyclopentan-1-one is sourced from PubChem (CID 12823821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).