3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethylpropanal

C11H22O3 — CID 169150505

IUPAC3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethylpropanal
SMILESCOCC(C)(C)COCC(C)(C)C=O
InChIInChI=1S/C11H22O3/c1-10(2,6-12)8-14-9-11(3,4)7-13-5/h6H,7-9H2,1-5H3
InChIKeyNBBZXNAIWPBTNI-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.90
Rot. Bonds7

About 3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethylpropanal

3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethylpropanal (PubChem CID 169150505) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethylpropanal
PubChem CID169150505
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethylpropanal
SMILESCOCC(C)(C)COCC(C)(C)C=O
InChIInChI=1S/C11H22O3/c1-10(2,6-12)8-14-9-11(3,4)7-13-5/h6H,7-9H2,1-5H3
InChIKeyNBBZXNAIWPBTNI-UHFFFAOYSA-N
XLogP1.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethylpropanal?
The IUPAC name of 3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethylpropanal (CID 169150505) is 3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethylpropanal.
What is the SMILES notation for 3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethylpropanal?
The canonical SMILES for 3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethylpropanal is COCC(C)(C)COCC(C)(C)C=O.
What is the InChIKey of 3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethylpropanal?
The InChIKey is NBBZXNAIWPBTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-10(2,6-12)8-14-9-11(3,4)7-13-5/h6H,7-9H2,1-5H3.
What are the key properties of 3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethylpropanal?
3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethylpropanal has a molecular weight of 202.29 g/mol, XLogP of 1.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethylpropanal is sourced from PubChem (CID 169150505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).