5-(6-oxocyclodecyl)pentanal

C15H26O2 — CID 134887033

IUPAC5-(6-oxocyclodecyl)pentanal
SMILESO=CCCCCC1CCCCC(=O)CCCC1
InChIInChI=1S/C15H26O2/c16-13-7-1-2-8-14-9-3-5-11-15(17)12-6-4-10-14/h13-14H,1-12H2
InChIKeyOXTNYJALLAVVFL-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.07
Rot. Bonds5

About 5-(6-oxocyclodecyl)pentanal

5-(6-oxocyclodecyl)pentanal (PubChem CID 134887033) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 5-(6-oxocyclodecyl)pentanal.

Molecular Properties

Compound Name5-(6-oxocyclodecyl)pentanal
PubChem CID134887033
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name5-(6-oxocyclodecyl)pentanal
SMILESO=CCCCCC1CCCCC(=O)CCCC1
InChIInChI=1S/C15H26O2/c16-13-7-1-2-8-14-9-3-5-11-15(17)12-6-4-10-14/h13-14H,1-12H2
InChIKeyOXTNYJALLAVVFL-UHFFFAOYSA-N
XLogP4.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

13-cyclohexyltridecanal
CID 173254784
6-decylcyclododecan-1-one
CID 21490531
3-hept-6-enylcyclohexan-1-one
CID 107010436
ethane;octylcyclopentane;6-oxohexanoic acid
CID 142072660
6-ethylcyclodecan-1-one
CID 18176981
hex-5-enylcyclopentane
CID 20565123
4-cyclopentylbutylcyclohexane
CID 144547696
4-(7,7-difluorohept-6-enyl)cyclohexan-1-one
CID 20599854
(3S)-3-(5-methylhexyl)cycloheptan-1-one
CID 59072771
10-oxo-10-(2-oxocyclohexyl)decanal
CID 174998871
4-cyclohexylbutyl formate
CID 87468651
4-cyclohexylbutyl formate;methane
CID 143866178

Frequently Asked Questions

What is the IUPAC name of 5-(6-oxocyclodecyl)pentanal?
The IUPAC name of 5-(6-oxocyclodecyl)pentanal (CID 134887033) is 5-(6-oxocyclodecyl)pentanal.
What is the SMILES notation for 5-(6-oxocyclodecyl)pentanal?
The canonical SMILES for 5-(6-oxocyclodecyl)pentanal is O=CCCCCC1CCCCC(=O)CCCC1.
What is the InChIKey of 5-(6-oxocyclodecyl)pentanal?
The InChIKey is OXTNYJALLAVVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c16-13-7-1-2-8-14-9-3-5-11-15(17)12-6-4-10-14/h13-14H,1-12H2.
What are the key properties of 5-(6-oxocyclodecyl)pentanal?
5-(6-oxocyclodecyl)pentanal has a molecular weight of 238.37 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-oxocyclodecyl)pentanal is sourced from PubChem (CID 134887033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).