3,3-dimethyl-2H-furan-2-carbaldehyde

C7H10O2 — CID 175757238

IUPAC3,3-dimethyl-2H-furan-2-carbaldehyde
SMILESCC1(C)C=COC1C=O
InChIInChI=1S/C7H10O2/c1-7(2)3-4-9-6(7)5-8/h3-6H,1-2H3
InChIKeyLKYUQWZIEFYOTC-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.12
Rot. Bonds1

About 3,3-dimethyl-2H-furan-2-carbaldehyde

3,3-dimethyl-2H-furan-2-carbaldehyde (PubChem CID 175757238) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 3,3-dimethyl-2H-furan-2-carbaldehyde.

Molecular Properties

Compound Name3,3-dimethyl-2H-furan-2-carbaldehyde
PubChem CID175757238
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name3,3-dimethyl-2H-furan-2-carbaldehyde
SMILESCC1(C)C=COC1C=O
InChIInChI=1S/C7H10O2/c1-7(2)3-4-9-6(7)5-8/h3-6H,1-2H3
InChIKeyLKYUQWZIEFYOTC-UHFFFAOYSA-N
XLogP1.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-dimethyl-2H-furan-2-carbaldehyde?
The IUPAC name of 3,3-dimethyl-2H-furan-2-carbaldehyde (CID 175757238) is 3,3-dimethyl-2H-furan-2-carbaldehyde.
What is the SMILES notation for 3,3-dimethyl-2H-furan-2-carbaldehyde?
The canonical SMILES for 3,3-dimethyl-2H-furan-2-carbaldehyde is CC1(C)C=COC1C=O.
What is the InChIKey of 3,3-dimethyl-2H-furan-2-carbaldehyde?
The InChIKey is LKYUQWZIEFYOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-7(2)3-4-9-6(7)5-8/h3-6H,1-2H3.
What are the key properties of 3,3-dimethyl-2H-furan-2-carbaldehyde?
3,3-dimethyl-2H-furan-2-carbaldehyde has a molecular weight of 126.15 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2H-furan-2-carbaldehyde is sourced from PubChem (CID 175757238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).