2-(6-methylheptan-2-yloxy)acetaldehyde

C10H20O2 — CID 86642025

IUPAC2-(6-methylheptan-2-yloxy)acetaldehyde
SMILESCC(C)CCCC(C)OCC=O
InChIInChI=1S/C10H20O2/c1-9(2)5-4-6-10(3)12-8-7-11/h7,9-10H,4-6,8H2,1-3H3
InChIKeySFSJGHORRUEPGB-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.42
Rot. Bonds7

About 2-(6-methylheptan-2-yloxy)acetaldehyde

2-(6-methylheptan-2-yloxy)acetaldehyde (PubChem CID 86642025) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(6-methylheptan-2-yloxy)acetaldehyde.

Molecular Properties

Compound Name2-(6-methylheptan-2-yloxy)acetaldehyde
PubChem CID86642025
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-(6-methylheptan-2-yloxy)acetaldehyde
SMILESCC(C)CCCC(C)OCC=O
InChIInChI=1S/C10H20O2/c1-9(2)5-4-6-10(3)12-8-7-11/h7,9-10H,4-6,8H2,1-3H3
InChIKeySFSJGHORRUEPGB-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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-(5,5-dimethylhexan-2-yloxy)acetaldehyde
CID 91503820
2-methyl-6-propan-2-yloxyheptane
CID 158226475
3,7,11-trimethyldodecanal
CID 14420009
5-propoxyhexanal
CID 57004791
12-methyltridecanal
CID 146297718
22-methyltricosanal
CID 86049143
alumane;6-methylheptanal
CID 174999973
18-methylnonadecanal
CID 22123977
2-(2-methoxyethoxymethoxy)-6-methylheptane
CID 12653649
2-prop-2-enoxyheptane
CID 142701865
3-hydroxy-4,8-dimethylnonanal
CID 87291569
2-methyl-8-(8-methylnonan-2-yloxy)nonane
CID 175712820

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylheptan-2-yloxy)acetaldehyde?
The IUPAC name of 2-(6-methylheptan-2-yloxy)acetaldehyde (CID 86642025) is 2-(6-methylheptan-2-yloxy)acetaldehyde.
What is the SMILES notation for 2-(6-methylheptan-2-yloxy)acetaldehyde?
The canonical SMILES for 2-(6-methylheptan-2-yloxy)acetaldehyde is CC(C)CCCC(C)OCC=O.
What is the InChIKey of 2-(6-methylheptan-2-yloxy)acetaldehyde?
The InChIKey is SFSJGHORRUEPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(2)5-4-6-10(3)12-8-7-11/h7,9-10H,4-6,8H2,1-3H3.
What are the key properties of 2-(6-methylheptan-2-yloxy)acetaldehyde?
2-(6-methylheptan-2-yloxy)acetaldehyde has a molecular weight of 172.27 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylheptan-2-yloxy)acetaldehyde is sourced from PubChem (CID 86642025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).