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

C9H16O3 — CID 11019328

IUPAC2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]acetaldehyde
SMILESCCC1(CC)OC[C@@H](CC=O)O1
InChIInChI=1S/C9H16O3/c1-3-9(4-2)11-7-8(12-9)5-6-10/h6,8H,3-5,7H2,1-2H3/t8-/m1/s1
InChIKeyCGOIZNJIWPMMLQ-MRVPVSSYSA-N
MW172.22 g/mol
LogP1.51
Rot. Bonds4

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

2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]acetaldehyde (PubChem CID 11019328) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]acetaldehyde
PubChem CID11019328
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]acetaldehyde
SMILESCCC1(CC)OC[C@@H](CC=O)O1
InChIInChI=1S/C9H16O3/c1-3-9(4-2)11-7-8(12-9)5-6-10/h6,8H,3-5,7H2,1-2H3/t8-/m1/s1
InChIKeyCGOIZNJIWPMMLQ-MRVPVSSYSA-N
XLogP1.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.51
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

2-((4R)-2,2-dimethyl-1,3-dioxolan-4-yl)acetaldehyde
CID 10942557
2-((4S)-2,2-dimethyl-1,3-dioxolan-4-yl)acetaldehyde
CID 11084008
2-(2,2-Dimethyl-1,3-dioxolan-4-yl)acetaldehyde
CID 10986358
1,3-Dioxolane-2-propanal, 2-methyl-
CID 560040
(2-Propyl-1,3-dioxolan-2-yl)acetaldehyde
CID 14449685
2-(2,2-Dimethyl-1,3-dioxolan-4-yl)propanal
CID 12574424
2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 10080837
2-(2-Methyl-1,3-dioxolan-2-yl)acetaldehyde
CID 11007926
(4R)-2,2-Dimethyl-1,3-dioxolane-4-propanal
CID 11263646
1,3-Dioxolane-4-propanal, 2,2-dimethyl-
CID 11367150
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-one
CID 14164723
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
CID 134856441

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]acetaldehyde?
The IUPAC name of 2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]acetaldehyde (CID 11019328) is 2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]acetaldehyde.
What is the SMILES notation for 2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]acetaldehyde?
The canonical SMILES for 2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]acetaldehyde is CCC1(CC)OC[C@@H](CC=O)O1.
What is the InChIKey of 2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]acetaldehyde?
The InChIKey is CGOIZNJIWPMMLQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-9(4-2)11-7-8(12-9)5-6-10/h6,8H,3-5,7H2,1-2H3/t8-/m1/s1.
What are the key properties of 2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]acetaldehyde?
2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]acetaldehyde has a molecular weight of 172.22 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]acetaldehyde is sourced from PubChem (CID 11019328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).