(2R)-4,4-dimethyloxolane-2-carbaldehyde

C7H12O2 — CID 129451617

IUPAC(2R)-4,4-dimethyloxolane-2-carbaldehyde
SMILESCC1(C)CO[C@@H](C=O)C1
InChIInChI=1S/C7H12O2/c1-7(2)3-6(4-8)9-5-7/h4,6H,3,5H2,1-2H3/t6-/m1/s1
InChIKeyNDPMNCZNLGUWFC-ZCFIWIBFSA-N
MW128.17 g/mol
LogP1.00
Rot. Bonds1

About (2R)-4,4-dimethyloxolane-2-carbaldehyde

(2R)-4,4-dimethyloxolane-2-carbaldehyde (PubChem CID 129451617) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (2R)-4,4-dimethyloxolane-2-carbaldehyde.

Molecular Properties

Compound Name(2R)-4,4-dimethyloxolane-2-carbaldehyde
PubChem CID129451617
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(2R)-4,4-dimethyloxolane-2-carbaldehyde
SMILESCC1(C)CO[C@@H](C=O)C1
InChIInChI=1S/C7H12O2/c1-7(2)3-6(4-8)9-5-7/h4,6H,3,5H2,1-2H3/t6-/m1/s1
InChIKeyNDPMNCZNLGUWFC-ZCFIWIBFSA-N
XLogP1.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.00
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

4,6,6-trimethyloxepane-2-carbaldehyde
CID 174486821
6,6-dimethyl-1,4-dioxane-2-carbaldehyde
CID 130068068
(3R)-3-hydroxy-4,4-dimethyloxolane-2-carbaldehyde
CID 174638920
oxirane-2-carbaldehyde;silane
CID 173157957
(3S)-6,6-dimethyldioxane-3-carbaldehyde
CID 101485690
2,2-dimethyl-1,3-dioxane-4-carbaldehyde
CID 10953638
5,5-dimethyl-4-propan-2-yl-1,3-dioxane-2-carbaldehyde
CID 14401442
ethane;oxolane-2-carbaldehyde
CID 142055620
(2S,5S)-5-methyl-1,4-dioxane-2-carbaldehyde
CID 123278427
2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid
CID 14423958
(2E,4E,6E,8E,10Z)-11-(5,5-dimethyl-1,3-dioxan-2-yl)dodeca-2,4,6,8,10-pentaenal
CID 22145500
2-(6-formyl-2,2-dimethyl-1,3-dioxan-4-yl)acetic acid
CID 14423957

Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-dimethyloxolane-2-carbaldehyde?
The IUPAC name of (2R)-4,4-dimethyloxolane-2-carbaldehyde (CID 129451617) is (2R)-4,4-dimethyloxolane-2-carbaldehyde.
What is the SMILES notation for (2R)-4,4-dimethyloxolane-2-carbaldehyde?
The canonical SMILES for (2R)-4,4-dimethyloxolane-2-carbaldehyde is CC1(C)CO[C@@H](C=O)C1.
What is the InChIKey of (2R)-4,4-dimethyloxolane-2-carbaldehyde?
The InChIKey is NDPMNCZNLGUWFC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12O2/c1-7(2)3-6(4-8)9-5-7/h4,6H,3,5H2,1-2H3/t6-/m1/s1.
What are the key properties of (2R)-4,4-dimethyloxolane-2-carbaldehyde?
(2R)-4,4-dimethyloxolane-2-carbaldehyde has a molecular weight of 128.17 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-dimethyloxolane-2-carbaldehyde is sourced from PubChem (CID 129451617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).