(3R)-3-hydroxy-4,4-dimethyloxolane-2-carbaldehyde

C7H12O3 — CID 174638920

IUPAC(3R)-3-hydroxy-4,4-dimethyloxolane-2-carbaldehyde
SMILESCC1(C)COC(C=O)[C@@H]1O
InChIInChI=1S/C7H12O3/c1-7(2)4-10-5(3-8)6(7)9/h3,5-6,9H,4H2,1-2H3/t5?,6-/m0/s1
InChIKeyHDBRFYMFPRATGT-GDVGLLTNSA-N
MW144.17 g/mol
LogP-0.03
Rot. Bonds1

About (3R)-3-hydroxy-4,4-dimethyloxolane-2-carbaldehyde

(3R)-3-hydroxy-4,4-dimethyloxolane-2-carbaldehyde (PubChem CID 174638920) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (3R)-3-hydroxy-4,4-dimethyloxolane-2-carbaldehyde.

Molecular Properties

Compound Name(3R)-3-hydroxy-4,4-dimethyloxolane-2-carbaldehyde
PubChem CID174638920
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(3R)-3-hydroxy-4,4-dimethyloxolane-2-carbaldehyde
SMILESCC1(C)COC(C=O)[C@@H]1O
InChIInChI=1S/C7H12O3/c1-7(2)4-10-5(3-8)6(7)9/h3,5-6,9H,4H2,1-2H3/t5?,6-/m0/s1
InChIKeyHDBRFYMFPRATGT-GDVGLLTNSA-N
XLogP-0.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R,5S)-4-hydroxy-1,6-dioxaspiro[2.5]octane-5-carbaldehyde
CID 88928744
(2R)-4,4-dimethyloxolane-2-carbaldehyde
CID 129451617
(2S,4S)-4-hydroxy-5,5-dimethyl-2-propyloxan-3-one
CID 130891192
(4R,5R)-5-hydroxy-2,2-dimethyl-1,3-dioxane-4-carbaldehyde
CID 14101922
(2S,3S)-4,4-dimethyl-3-[(E)-prop-1-enyl]oxolan-2-ol
CID 141376264
5,5-dimethyl-4-propan-2-yl-1,3-dioxane-2-carbaldehyde
CID 14401442
(2S,3S,4R,5R)-3,4,5-trihydroxyoxane-2-carbaldehyde
CID 165359373
1,4-dioxane-2,3-dicarbaldehyde
CID 150021643
(4R)-5,5-dimethyl-2-phenyl-1,3-dioxane-4-carbaldehyde
CID 86628866
(3aS,4R)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carbaldehyde
CID 130231338
(3R)-3-methoxy-4,4-dimethyloxolan-2-ol
CID 45082816
3,5,5-trimethyloxolane-2-carbaldehyde
CID 20674729

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-4,4-dimethyloxolane-2-carbaldehyde?
The IUPAC name of (3R)-3-hydroxy-4,4-dimethyloxolane-2-carbaldehyde (CID 174638920) is (3R)-3-hydroxy-4,4-dimethyloxolane-2-carbaldehyde.
What is the SMILES notation for (3R)-3-hydroxy-4,4-dimethyloxolane-2-carbaldehyde?
The canonical SMILES for (3R)-3-hydroxy-4,4-dimethyloxolane-2-carbaldehyde is CC1(C)COC(C=O)[C@@H]1O.
What is the InChIKey of (3R)-3-hydroxy-4,4-dimethyloxolane-2-carbaldehyde?
The InChIKey is HDBRFYMFPRATGT-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H12O3/c1-7(2)4-10-5(3-8)6(7)9/h3,5-6,9H,4H2,1-2H3/t5?,6-/m0/s1.
What are the key properties of (3R)-3-hydroxy-4,4-dimethyloxolane-2-carbaldehyde?
(3R)-3-hydroxy-4,4-dimethyloxolane-2-carbaldehyde has a molecular weight of 144.17 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-4,4-dimethyloxolane-2-carbaldehyde is sourced from PubChem (CID 174638920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).