2-(5,5-dimethylhexan-2-yloxy)acetaldehyde

C10H20O2 — CID 91503820

IUPAC2-(5,5-dimethylhexan-2-yloxy)acetaldehyde
SMILESCC(CCC(C)(C)C)OCC=O
InChIInChI=1S/C10H20O2/c1-9(12-8-7-11)5-6-10(2,3)4/h7,9H,5-6,8H2,1-4H3
InChIKeyQADKNNIRPRZWMK-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.42
Rot. Bonds5

About 2-(5,5-dimethylhexan-2-yloxy)acetaldehyde

2-(5,5-dimethylhexan-2-yloxy)acetaldehyde (PubChem CID 91503820) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(5,5-dimethylhexan-2-yloxy)acetaldehyde.

Molecular Properties

Compound Name2-(5,5-dimethylhexan-2-yloxy)acetaldehyde
PubChem CID91503820
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-(5,5-dimethylhexan-2-yloxy)acetaldehyde
SMILESCC(CCC(C)(C)C)OCC=O
InChIInChI=1S/C10H20O2/c1-9(12-8-7-11)5-6-10(2,3)4/h7,9H,5-6,8H2,1-4H3
InChIKeyQADKNNIRPRZWMK-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6-methylheptan-2-yloxy)acetaldehyde
CID 86642025
2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 159070558
(5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 169306082
2-oxoethyl 2,2,5,5-tetramethylhexanoate
CID 178052308
3-methyl-2-(2-oxoethoxy)butanal
CID 88894798
2,2,8,8-tetramethylnonan-5-ol
CID 19931306
2,5,5-trimethylhexan-1-ol
CID 3020914
2,6,6-trimethylheptan-3-ol
CID 20577986
5-hydroxy-5-[4-(1-hydroxy-4,4-dimethylpentyl)phenyl]-2,2-dimethylpentanal
CID 88581179
2,3,6,6-tetramethylheptanoic acid
CID 81009492
2-(2-oxoethoxy)-3-propan-2-yloxypropanal
CID 134460023
5,5-dimethyl-1-propan-2-yloxyhexan-2-amine
CID 105140004

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethylhexan-2-yloxy)acetaldehyde?
The IUPAC name of 2-(5,5-dimethylhexan-2-yloxy)acetaldehyde (CID 91503820) is 2-(5,5-dimethylhexan-2-yloxy)acetaldehyde.
What is the SMILES notation for 2-(5,5-dimethylhexan-2-yloxy)acetaldehyde?
The canonical SMILES for 2-(5,5-dimethylhexan-2-yloxy)acetaldehyde is CC(CCC(C)(C)C)OCC=O.
What is the InChIKey of 2-(5,5-dimethylhexan-2-yloxy)acetaldehyde?
The InChIKey is QADKNNIRPRZWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(12-8-7-11)5-6-10(2,3)4/h7,9H,5-6,8H2,1-4H3.
What are the key properties of 2-(5,5-dimethylhexan-2-yloxy)acetaldehyde?
2-(5,5-dimethylhexan-2-yloxy)acetaldehyde has a molecular weight of 172.27 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethylhexan-2-yloxy)acetaldehyde is sourced from PubChem (CID 91503820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).