2-[3-(oxan-2-yloxy)propyl]-5-oxohexanal

C14H24O4 — CID 10491306

IUPAC2-[3-(oxan-2-yloxy)propyl]-5-oxohexanal
SMILESCC(=O)CCC(C=O)CCCOC1CCCCO1
InChIInChI=1S/C14H24O4/c1-12(16)7-8-13(11-15)5-4-10-18-14-6-2-3-9-17-14/h11,13-14H,2-10H2,1H3
InChIKeyLUKMITYPEQGEML-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.49
Rot. Bonds9

About 2-[3-(oxan-2-yloxy)propyl]-5-oxohexanal

2-[3-(oxan-2-yloxy)propyl]-5-oxohexanal (PubChem CID 10491306) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-[3-(oxan-2-yloxy)propyl]-5-oxohexanal.

Molecular Properties

Compound Name2-[3-(oxan-2-yloxy)propyl]-5-oxohexanal
PubChem CID10491306
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name2-[3-(oxan-2-yloxy)propyl]-5-oxohexanal
SMILESCC(=O)CCC(C=O)CCCOC1CCCCO1
InChIInChI=1S/C14H24O4/c1-12(16)7-8-13(11-15)5-4-10-18-14-6-2-3-9-17-14/h11,13-14H,2-10H2,1H3
InChIKeyLUKMITYPEQGEML-UHFFFAOYSA-N
XLogP2.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(2S,4S,6R,8S)-2,4,6,8-tetramethyl-9-(oxan-2-yloxy)nonanal
CID 11208755
(6-Oxo-3-pentyloxan-2-yl) acetate
CID 277318
2-[(5-Tert-butyl-2-oxocyclohexyl)methyl]-5-(oxan-2-yloxy)pentanal
CID 10831848
2-[3-(Oxan-2-yloxy)propyl]cyclohexan-1-one
CID 11322420
3-[(2S,3R,4S,5R,6R)-6-methoxy-4-(methoxymethoxy)-3,5-dimethyloxan-2-yl]propanal
CID 11821346
2-(2-Butoxy-2-ethoxyethyl)cyclohexane-1,3-dione
CID 12849130
2-(2',2'-Diethoxyethyl)-1,3-cyclohexanedione
CID 20534715
2-[2-Ethoxy-2-(2-methylpropoxy)ethyl]cyclohexane-1,3-dione
CID 20534716
4-Ethyl-7-(oxan-2-yloxy)heptan-3-one
CID 20737777
6-Methyl-8-(oxan-2-yloxy)octan-3-one
CID 21696688
5-Methyl-7-(oxan-2-yloxy)heptan-2-one
CID 21696690
3-[6-Methoxy-4-(methoxymethoxy)-3,5-dimethyloxan-2-yl]propanal
CID 21923417

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxan-2-yloxy)propyl]-5-oxohexanal?
The IUPAC name of 2-[3-(oxan-2-yloxy)propyl]-5-oxohexanal (CID 10491306) is 2-[3-(oxan-2-yloxy)propyl]-5-oxohexanal.
What is the SMILES notation for 2-[3-(oxan-2-yloxy)propyl]-5-oxohexanal?
The canonical SMILES for 2-[3-(oxan-2-yloxy)propyl]-5-oxohexanal is CC(=O)CCC(C=O)CCCOC1CCCCO1.
What is the InChIKey of 2-[3-(oxan-2-yloxy)propyl]-5-oxohexanal?
The InChIKey is LUKMITYPEQGEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-12(16)7-8-13(11-15)5-4-10-18-14-6-2-3-9-17-14/h11,13-14H,2-10H2,1H3.
What are the key properties of 2-[3-(oxan-2-yloxy)propyl]-5-oxohexanal?
2-[3-(oxan-2-yloxy)propyl]-5-oxohexanal has a molecular weight of 256.34 g/mol, XLogP of 2.49, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxan-2-yloxy)propyl]-5-oxohexanal is sourced from PubChem (CID 10491306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).