(3R)-3-(furan-2-yl)-5,5-dimethyloxolane-2-carbaldehyde

C11H14O3 — CID 59963922

IUPAC(3R)-3-(furan-2-yl)-5,5-dimethyloxolane-2-carbaldehyde
SMILESCC1(C)C[C@@H](c2ccco2)C(C=O)O1
InChIInChI=1S/C11H14O3/c1-11(2)6-8(10(7-12)14-11)9-4-3-5-13-9/h3-5,7-8,10H,6H2,1-2H3/t8-,10?/m0/s1
InChIKeyVNXIPSKVDQRVHG-PEHGTWAWSA-N
MW194.23 g/mol
LogP2.13
Rot. Bonds2

About (3R)-3-(furan-2-yl)-5,5-dimethyloxolane-2-carbaldehyde

(3R)-3-(furan-2-yl)-5,5-dimethyloxolane-2-carbaldehyde (PubChem CID 59963922) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (3R)-3-(furan-2-yl)-5,5-dimethyloxolane-2-carbaldehyde.

Molecular Properties

Compound Name(3R)-3-(furan-2-yl)-5,5-dimethyloxolane-2-carbaldehyde
PubChem CID59963922
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(3R)-3-(furan-2-yl)-5,5-dimethyloxolane-2-carbaldehyde
SMILESCC1(C)C[C@@H](c2ccco2)C(C=O)O1
InChIInChI=1S/C11H14O3/c1-11(2)6-8(10(7-12)14-11)9-4-3-5-13-9/h3-5,7-8,10H,6H2,1-2H3/t8-,10?/m0/s1
InChIKeyVNXIPSKVDQRVHG-PEHGTWAWSA-N
XLogP2.13
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2R)-2-(furan-2-yl)-4-oxocyclopentane-1-carbaldehyde
CID 101079486
2-(5,5-dimethyloxolan-2-yl)furan
CID 21036269
1-[(1S,2R,4S,5R)-4,5-bis(furan-2-yl)-2-hydroxy-2-methylcyclopentyl]ethanone
CID 101338916
3-(furan-2-yl)bicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 72796024
[(3S,4S)-4-(furan-2-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 96744208
2-(furan-2-yl)-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decane
CID 7045891
2-(furan-2-yl)-N-methylcyclopentan-1-amine
CID 63950398
2,2-difluoro-4-(furan-2-yl)cyclobutane-1-carboxamide
CID 67178300
3-(furan-2-yl)-6,6-dimethyl-1,2,4-trioxane
CID 101108105
4-(furan-2-yl)-5-methylpyrrolidin-2-one
CID 66108911
2-(furan-2-yl)cyclobutane-1-carboxylic acid
CID 81009452
methyl (3R,4R)-4-(furan-2-yl)pyrrolidine-3-carboxylate
CID 129413863

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(furan-2-yl)-5,5-dimethyloxolane-2-carbaldehyde?
The IUPAC name of (3R)-3-(furan-2-yl)-5,5-dimethyloxolane-2-carbaldehyde (CID 59963922) is (3R)-3-(furan-2-yl)-5,5-dimethyloxolane-2-carbaldehyde.
What is the SMILES notation for (3R)-3-(furan-2-yl)-5,5-dimethyloxolane-2-carbaldehyde?
The canonical SMILES for (3R)-3-(furan-2-yl)-5,5-dimethyloxolane-2-carbaldehyde is CC1(C)C[C@@H](c2ccco2)C(C=O)O1.
What is the InChIKey of (3R)-3-(furan-2-yl)-5,5-dimethyloxolane-2-carbaldehyde?
The InChIKey is VNXIPSKVDQRVHG-PEHGTWAWSA-N. The full InChI is InChI=1S/C11H14O3/c1-11(2)6-8(10(7-12)14-11)9-4-3-5-13-9/h3-5,7-8,10H,6H2,1-2H3/t8-,10?/m0/s1.
What are the key properties of (3R)-3-(furan-2-yl)-5,5-dimethyloxolane-2-carbaldehyde?
(3R)-3-(furan-2-yl)-5,5-dimethyloxolane-2-carbaldehyde has a molecular weight of 194.23 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(furan-2-yl)-5,5-dimethyloxolane-2-carbaldehyde is sourced from PubChem (CID 59963922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).