3,5,5-trimethyloxolane-2-carbaldehyde

C8H14O2 — CID 20674729

IUPAC3,5,5-trimethyloxolane-2-carbaldehyde
SMILESCC1CC(C)(C)OC1C=O
InChIInChI=1S/C8H14O2/c1-6-4-8(2,3)10-7(6)5-9/h5-7H,4H2,1-3H3
InChIKeyWGBMYFGOYDXQMO-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.39
Rot. Bonds1

About 3,5,5-trimethyloxolane-2-carbaldehyde

3,5,5-trimethyloxolane-2-carbaldehyde (PubChem CID 20674729) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3,5,5-trimethyloxolane-2-carbaldehyde.

Molecular Properties

Compound Name3,5,5-trimethyloxolane-2-carbaldehyde
PubChem CID20674729
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3,5,5-trimethyloxolane-2-carbaldehyde
SMILESCC1CC(C)(C)OC1C=O
InChIInChI=1S/C8H14O2/c1-6-4-8(2,3)10-7(6)5-9/h5-7H,4H2,1-3H3
InChIKeyWGBMYFGOYDXQMO-UHFFFAOYSA-N
XLogP1.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.39
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

(3R)-3-(furan-2-yl)-5,5-dimethyloxolane-2-carbaldehyde
CID 59963922
[(3S)-3,5,5-trimethyloxolan-2-yl] acetate
CID 100974772
2,2,5,5-tetramethyloxolane-3-carbaldehyde
CID 79934388
(2R,5S)-2-ethyl-2,3,3,5-tetramethyloxolane
CID 89295957
(1R,2S,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbaldehyde
CID 11242348
(3aS,4R)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carbaldehyde
CID 130231338
(4R,5R)-5-hydroxy-2,2-dimethyl-1,3-dioxane-4-carbaldehyde
CID 14101922
(2R)-3,3-dimethyloxirane-2-carbaldehyde
CID 12872198
(4S)-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]pyrrole-4,5-dicarbaldehyde
CID 89147545
(3R)-3-hydroxy-4,4-dimethyloxolane-2-carbaldehyde
CID 174638920
6,6-dimethyl-1,4-dioxane-2-carbaldehyde
CID 130068068
2-hydroxy-5,5-dimethyloxolane-3-carboxylic acid
CID 154982898

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyloxolane-2-carbaldehyde?
The IUPAC name of 3,5,5-trimethyloxolane-2-carbaldehyde (CID 20674729) is 3,5,5-trimethyloxolane-2-carbaldehyde.
What is the SMILES notation for 3,5,5-trimethyloxolane-2-carbaldehyde?
The canonical SMILES for 3,5,5-trimethyloxolane-2-carbaldehyde is CC1CC(C)(C)OC1C=O.
What is the InChIKey of 3,5,5-trimethyloxolane-2-carbaldehyde?
The InChIKey is WGBMYFGOYDXQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6-4-8(2,3)10-7(6)5-9/h5-7H,4H2,1-3H3.
What are the key properties of 3,5,5-trimethyloxolane-2-carbaldehyde?
3,5,5-trimethyloxolane-2-carbaldehyde has a molecular weight of 142.20 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyloxolane-2-carbaldehyde is sourced from PubChem (CID 20674729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).