(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-methoxyethoxymethoxy)acetaldehyde

C11H20O6 — CID 11149311

IUPAC(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-methoxyethoxymethoxy)acetaldehyde
SMILESCOCCOCO[C@@H](C=O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H20O6/c1-11(2)16-7-10(17-11)9(6-12)15-8-14-5-4-13-3/h6,9-10H,4-5,7-8H2,1-3H3/t9-,10+/m0/s1
InChIKeyODUVCDGOIVIATK-VHSXEESVSA-N
MW248.27 g/mol
LogP0.34
Rot. Bonds8

About (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-methoxyethoxymethoxy)acetaldehyde

(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-methoxyethoxymethoxy)acetaldehyde (PubChem CID 11149311) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-methoxyethoxymethoxy)acetaldehyde.

Molecular Properties

Compound Name(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-methoxyethoxymethoxy)acetaldehyde
PubChem CID11149311
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-methoxyethoxymethoxy)acetaldehyde
SMILESCOCCOCO[C@@H](C=O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H20O6/c1-11(2)16-7-10(17-11)9(6-12)15-8-14-5-4-13-3/h6,9-10H,4-5,7-8H2,1-3H3/t9-,10+/m0/s1
InChIKeyODUVCDGOIVIATK-VHSXEESVSA-N
XLogP0.34
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyacetaldehyde
CID 10986767
(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetaldehyde
CID 10729339
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-1-(2-methoxyethoxymethoxy)-2,2,6-trimethylheptan-3-one
CID 10690944
(2R)-2-[(2,6-dichlorophenyl)methoxy]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 10710734
(4S)-4-(2-methoxyethoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 57158294
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde
CID 129075073
(4R)-4-[(E,1R,2R)-5-bromo-2-(2-ethoxyethoxy)-1-(methoxymethoxy)pent-3-enyl]-2,2-dimethyl-1,3-dioxolane
CID 101058542
2-(2-methoxyethoxymethoxy)propanal
CID 13202440
3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2-methylpropanal
CID 12641543
methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-4-enoate
CID 12927276
2-[[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-(2-methoxyprop-2-enyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]methoxy]ethyl-trimethylsilane
CID 15663110
methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate
CID 4053441

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-methoxyethoxymethoxy)acetaldehyde?
The IUPAC name of (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-methoxyethoxymethoxy)acetaldehyde (CID 11149311) is (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-methoxyethoxymethoxy)acetaldehyde.
What is the SMILES notation for (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-methoxyethoxymethoxy)acetaldehyde?
The canonical SMILES for (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-methoxyethoxymethoxy)acetaldehyde is COCCOCO[C@@H](C=O)[C@H]1COC(C)(C)O1.
What is the InChIKey of (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-methoxyethoxymethoxy)acetaldehyde?
The InChIKey is ODUVCDGOIVIATK-VHSXEESVSA-N. The full InChI is InChI=1S/C11H20O6/c1-11(2)16-7-10(17-11)9(6-12)15-8-14-5-4-13-3/h6,9-10H,4-5,7-8H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-methoxyethoxymethoxy)acetaldehyde?
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-methoxyethoxymethoxy)acetaldehyde has a molecular weight of 248.27 g/mol, XLogP of 0.34, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-methoxyethoxymethoxy)acetaldehyde is sourced from PubChem (CID 11149311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).