9-(2-oxoethoxy)nonanal

C11H20O3 — CID 156808348

IUPAC9-(2-oxoethoxy)nonanal
SMILESO=CCCCCCCCCOCC=O
InChIInChI=1S/C11H20O3/c12-8-6-4-2-1-3-5-7-10-14-11-9-13/h8-9H,1-7,10-11H2
InChIKeyVHEXDCXQIGPNBN-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.13
Rot. Bonds11

About 9-(2-oxoethoxy)nonanal

9-(2-oxoethoxy)nonanal (PubChem CID 156808348) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 9-(2-oxoethoxy)nonanal.

Molecular Properties

Compound Name9-(2-oxoethoxy)nonanal
PubChem CID156808348
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name9-(2-oxoethoxy)nonanal
SMILESO=CCCCCCCCCOCC=O
InChIInChI=1S/C11H20O3/c12-8-6-4-2-1-3-5-7-10-14-11-9-13/h8-9H,1-7,10-11H2
InChIKeyVHEXDCXQIGPNBN-UHFFFAOYSA-N
XLogP2.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

16-(16-oxohexadecoxy)hexadecanal
CID 87509641
10-(10-oxodecoxy)decanal
CID 151900645
6-[2-(2-methoxyethoxy)ethoxy]hexanal
CID 58413687
pentadecanedial
CID 22887412
CID 54363583
CID 54363583
2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]acetaldehyde
CID 86256206
2-[5-[5-(2-oxoethoxy)pentoxy]pentoxy]acetic acid
CID 166697104
2-(10,10,11,11-tetramethyldodecoxy)acetaldehyde
CID 151404409
ethane;tris(4-[2-(4-oxobutoxy)ethoxy]butanal)
CID 158890200
6-cyclopentyloxyhexanal
CID 129416066
(9Z,12Z)-18-[(6Z,9Z)-18-hydroxyoctadeca-6,9-dienoxy]octadeca-9,12-dienal
CID 170322636
3-heptoxypropanal
CID 59708059

Frequently Asked Questions

What is the IUPAC name of 9-(2-oxoethoxy)nonanal?
The IUPAC name of 9-(2-oxoethoxy)nonanal (CID 156808348) is 9-(2-oxoethoxy)nonanal.
What is the SMILES notation for 9-(2-oxoethoxy)nonanal?
The canonical SMILES for 9-(2-oxoethoxy)nonanal is O=CCCCCCCCCOCC=O.
What is the InChIKey of 9-(2-oxoethoxy)nonanal?
The InChIKey is VHEXDCXQIGPNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c12-8-6-4-2-1-3-5-7-10-14-11-9-13/h8-9H,1-7,10-11H2.
What are the key properties of 9-(2-oxoethoxy)nonanal?
9-(2-oxoethoxy)nonanal has a molecular weight of 200.28 g/mol, XLogP of 2.13, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-oxoethoxy)nonanal is sourced from PubChem (CID 156808348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).