2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde

C12H20O5 — CID 14462488

IUPAC2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
SMILESCC1(C)OCC(C2OC(C)(C)OC2CC=O)O1
InChIInChI=1S/C12H20O5/c1-11(2)14-7-9(16-11)10-8(5-6-13)15-12(3,4)17-10/h6,8-10H,5,7H2,1-4H3
InChIKeyHXJGDZFHIDPMRX-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.25
Rot. Bonds3

About 2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde

2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde (PubChem CID 14462488) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
PubChem CID14462488
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
SMILESCC1(C)OCC(C2OC(C)(C)OC2CC=O)O1
InChIInChI=1S/C12H20O5/c1-11(2)14-7-9(16-11)10-8(5-6-13)15-12(3,4)17-10/h6,8-10H,5,7H2,1-4H3
InChIKeyHXJGDZFHIDPMRX-UHFFFAOYSA-N
XLogP1.25
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3:4,5-Bis-O-(1-methylethylidene)-D-xylose
CID 10242941
(4S,5S)-5-[(4S,5S)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 11311453
(2S)-2-[(4S,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoroacetaldehyde
CID 134996063
(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 11253215
2,3:4,5-Di-o-isopropylidene-d-arabinose
CID 10966305
(4S,4'S,5R)-2,2,2',2'-Tetramethyl-[4,4'-bi(1,3-dioxolane)]-5-carbaldehyde
CID 11064240
Vfgwjiqtafpnqz-uhfffaoysa-
CID 12651667
(5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 157090851
2-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]acetaldehyde
CID 10889296
(R)-((R)-2,2-Dimethyl-1,3-dioxolan-4-yl)((4S,5S)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl)methyl acetate
CID 10913678
(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 10922311
1-[(4R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 11368539

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?
The IUPAC name of 2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde (CID 14462488) is 2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde.
What is the SMILES notation for 2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?
The canonical SMILES for 2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde is CC1(C)OCC(C2OC(C)(C)OC2CC=O)O1.
What is the InChIKey of 2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?
The InChIKey is HXJGDZFHIDPMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c1-11(2)14-7-9(16-11)10-8(5-6-13)15-12(3,4)17-10/h6,8-10H,5,7H2,1-4H3.
What are the key properties of 2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?
2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde has a molecular weight of 244.29 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde is sourced from PubChem (CID 14462488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).