2,6-dimethyl-4-propyloxane-4-carbaldehyde

C11H20O2 — CID 164664122

IUPAC2,6-dimethyl-4-propyloxane-4-carbaldehyde
SMILESCCCC1(C=O)CC(C)OC(C)C1
InChIInChI=1S/C11H20O2/c1-4-5-11(8-12)6-9(2)13-10(3)7-11/h8-10H,4-7H2,1-3H3
InChIKeyVVUTYMHVUXMZFZ-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.56
Rot. Bonds3

About 2,6-dimethyl-4-propyloxane-4-carbaldehyde

2,6-dimethyl-4-propyloxane-4-carbaldehyde (PubChem CID 164664122) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2,6-dimethyl-4-propyloxane-4-carbaldehyde.

Molecular Properties

Compound Name2,6-dimethyl-4-propyloxane-4-carbaldehyde
PubChem CID164664122
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2,6-dimethyl-4-propyloxane-4-carbaldehyde
SMILESCCCC1(C=O)CC(C)OC(C)C1
InChIInChI=1S/C11H20O2/c1-4-5-11(8-12)6-9(2)13-10(3)7-11/h8-10H,4-7H2,1-3H3
InChIKeyVVUTYMHVUXMZFZ-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.56
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-(Propan-2-yl)oxane-4-carbaldehyde
CID 12359837
2-Methyloxane-4-carbaldehyde
CID 12359835
2,2,6,6-Tetramethyloxane-4-carbaldehyde
CID 58424487
2-Methyl-2-(oxan-3-yl)propanal
CID 131210015
4-Fluoro-2,6-dimethyloxane-4-carbaldehyde
CID 131011802
4-(2-Fluoroethyl)-2,6-dimethyloxane-4-carbaldehyde
CID 165597975
4-(2-Fluoro-2-methylpropyl)oxane-4-carbaldehyde
CID 165777416
(2R,4S)-2-methyloxane-4-carbaldehyde
CID 23268607
(2S,4S)-2-propan-2-yloxane-4-carbaldehyde
CID 23268783
2-Ethyloxane-4-carbaldehyde
CID 45083482
1-(4-Methyloxan-4-yl)propan-1-one
CID 23388824
CID 57901517
CID 57901517

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-propyloxane-4-carbaldehyde?
The IUPAC name of 2,6-dimethyl-4-propyloxane-4-carbaldehyde (CID 164664122) is 2,6-dimethyl-4-propyloxane-4-carbaldehyde.
What is the SMILES notation for 2,6-dimethyl-4-propyloxane-4-carbaldehyde?
The canonical SMILES for 2,6-dimethyl-4-propyloxane-4-carbaldehyde is CCCC1(C=O)CC(C)OC(C)C1.
What is the InChIKey of 2,6-dimethyl-4-propyloxane-4-carbaldehyde?
The InChIKey is VVUTYMHVUXMZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-5-11(8-12)6-9(2)13-10(3)7-11/h8-10H,4-7H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-propyloxane-4-carbaldehyde?
2,6-dimethyl-4-propyloxane-4-carbaldehyde has a molecular weight of 184.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-propyloxane-4-carbaldehyde is sourced from PubChem (CID 164664122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).