(6R,6aS)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxole-3a-carbaldehyde

C8H12O5 — CID 131057504

IUPAC(6R,6aS)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxole-3a-carbaldehyde
SMILESCC1(C)O[C@H]2[C@H](O)COC2(C=O)O1
InChIInChI=1S/C8H12O5/c1-7(2)12-6-5(10)3-11-8(6,4-9)13-7/h4-6,10H,3H2,1-2H3/t5-,6+,8?/m1/s1
InChIKeyLMGDCRMHBIHLSF-RSHNMJPRSA-N
MW188.18 g/mol
LogP-0.58
Rot. Bonds1

About (6R,6aS)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxole-3a-carbaldehyde

(6R,6aS)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxole-3a-carbaldehyde (PubChem CID 131057504) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is (6R,6aS)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxole-3a-carbaldehyde.

Molecular Properties

Compound Name(6R,6aS)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxole-3a-carbaldehyde
PubChem CID131057504
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Name(6R,6aS)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxole-3a-carbaldehyde
SMILESCC1(C)O[C@H]2[C@H](O)COC2(C=O)O1
InChIInChI=1S/C8H12O5/c1-7(2)12-6-5(10)3-11-8(6,4-9)13-7/h4-6,10H,3H2,1-2H3/t5-,6+,8?/m1/s1
InChIKeyLMGDCRMHBIHLSF-RSHNMJPRSA-N
XLogP-0.58
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (6R,6aS)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxole-3a-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,3a-trimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-ol
CID 13122571
(3aS,6R,6aS)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-ol
CID 11095402
(4R,5R)-5-hydroxy-2,2-dimethyl-1,3-dioxane-4-carbaldehyde
CID 14101922
(3aR,6S,6aS)-6-hydroxy-2,2-dimethyl-6,6a-dihydrocyclopenta[d][1,3]dioxole-3a-carbaldehyde
CID 102385498
[(3aR,6R,6aR)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-yl] formate
CID 11085259
(3'aS,4R,7'R,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
CID 101152992
[(3aS,6R,7R,7aS)-6,7-dihydroxy-2,2-dimethyl-5,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-3a-yl]methyl sulfamate
CID 10626041
(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(S)-[(4S,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 101112584
(4S,5S)-4-hydroxy-5-[(4R,5S)-5-hydroxy-2-(tribromomethyl)-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 70543048
3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyloxirane-2-carbaldehyde
CID 130035501
cis-(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluoro-2-hydroxycyclopropane-1-carbaldehyde
CID 118911984
(4S,5S)-4-hydroxy-5-[(4R,5S)-5-hydroxy-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 70543387

Frequently Asked Questions

What is the IUPAC name of (6R,6aS)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxole-3a-carbaldehyde?
The IUPAC name of (6R,6aS)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxole-3a-carbaldehyde (CID 131057504) is (6R,6aS)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxole-3a-carbaldehyde.
What is the SMILES notation for (6R,6aS)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxole-3a-carbaldehyde?
The canonical SMILES for (6R,6aS)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxole-3a-carbaldehyde is CC1(C)O[C@H]2[C@H](O)COC2(C=O)O1.
What is the InChIKey of (6R,6aS)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxole-3a-carbaldehyde?
The InChIKey is LMGDCRMHBIHLSF-RSHNMJPRSA-N. The full InChI is InChI=1S/C8H12O5/c1-7(2)12-6-5(10)3-11-8(6,4-9)13-7/h4-6,10H,3H2,1-2H3/t5-,6+,8?/m1/s1.
What are the key properties of (6R,6aS)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxole-3a-carbaldehyde?
(6R,6aS)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxole-3a-carbaldehyde has a molecular weight of 188.18 g/mol, XLogP of -0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,6aS)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxole-3a-carbaldehyde is sourced from PubChem (CID 131057504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).