2-methyl-3-(oxan-2-yloxy)propanal

C9H16O3 — CID 10888377

IUPAC2-methyl-3-(oxan-2-yloxy)propanal
SMILESCC(C=O)COC1CCCCO1
InChIInChI=1S/C9H16O3/c1-8(6-10)7-12-9-4-2-3-5-11-9/h6,8-9H,2-5,7H2,1H3
InChIKeyQBLWUOXMRZHBGS-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.36
Rot. Bonds4

About 2-methyl-3-(oxan-2-yloxy)propanal

2-methyl-3-(oxan-2-yloxy)propanal (PubChem CID 10888377) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-methyl-3-(oxan-2-yloxy)propanal.

Molecular Properties

Compound Name2-methyl-3-(oxan-2-yloxy)propanal
PubChem CID10888377
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-methyl-3-(oxan-2-yloxy)propanal
SMILESCC(C=O)COC1CCCCO1
InChIInChI=1S/C9H16O3/c1-8(6-10)7-12-9-4-2-3-5-11-9/h6,8-9H,2-5,7H2,1H3
InChIKeyQBLWUOXMRZHBGS-UHFFFAOYSA-N
XLogP1.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(Oxan-2-yl)oxy]propanal
CID 319946
4-Tetrahydropyranyloxy-butan-2-one
CID 5314366
Methyl (2s)-2-methyl-3-(tetrahydro-2h-pyran-2-yloxy)propionate
CID 11195022
(2S,3S)-2-methyl-3-tetrahydropyranyloxybutyraldehyde
CID 11229211
2-Methyl-3-tetrahydropyranoxybutanal
CID 72760562
3-(2-Tetrahydropyranyloxy) pentanal
CID 129776274
3-(Oxan-2-yloxymethoxy)propanal
CID 134987354
Methyl (2S)-2-methyl-3-((tetrahydro-2H-pyran-2-yl]oxy]propanoate
CID 10465452
(3R)-3-(oxan-2-yloxy)butanal
CID 10773523
3-(Oxan-2-yloxy)butanal
CID 11229057
2,2-dimethyl-3-[(tetrahydro-2H-pyran-2-yl)oxy]propanal
CID 13276458
Methyl 2-methyl-3-(oxan-2-yloxy)propanoate
CID 13590741

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxan-2-yloxy)propanal?
The IUPAC name of 2-methyl-3-(oxan-2-yloxy)propanal (CID 10888377) is 2-methyl-3-(oxan-2-yloxy)propanal.
What is the SMILES notation for 2-methyl-3-(oxan-2-yloxy)propanal?
The canonical SMILES for 2-methyl-3-(oxan-2-yloxy)propanal is CC(C=O)COC1CCCCO1.
What is the InChIKey of 2-methyl-3-(oxan-2-yloxy)propanal?
The InChIKey is QBLWUOXMRZHBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-8(6-10)7-12-9-4-2-3-5-11-9/h6,8-9H,2-5,7H2,1H3.
What are the key properties of 2-methyl-3-(oxan-2-yloxy)propanal?
2-methyl-3-(oxan-2-yloxy)propanal has a molecular weight of 172.22 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxan-2-yloxy)propanal is sourced from PubChem (CID 10888377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).