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

C6H10O3 — CID 54408460

IUPAC2-[(4R)-4-methyl-1,3-dioxolan-2-yl]acetaldehyde
SMILESC[C@@H]1COC(CC=O)O1
InChIInChI=1S/C6H10O3/c1-5-4-8-6(9-5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6?/m1/s1
InChIKeyVSKIDEQHKBHDKH-LWOQYNTDSA-N
MW130.14 g/mol
LogP0.34
Rot. Bonds2

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

2-[(4R)-4-methyl-1,3-dioxolan-2-yl]acetaldehyde (PubChem CID 54408460) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 2-[(4R)-4-methyl-1,3-dioxolan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(4R)-4-methyl-1,3-dioxolan-2-yl]acetaldehyde
PubChem CID54408460
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name2-[(4R)-4-methyl-1,3-dioxolan-2-yl]acetaldehyde
SMILESC[C@@H]1COC(CC=O)O1
InChIInChI=1S/C6H10O3/c1-5-4-8-6(9-5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6?/m1/s1
InChIKeyVSKIDEQHKBHDKH-LWOQYNTDSA-N
XLogP0.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.34
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

3-(4-methyl-1,3-dioxolan-2-yl)propanal
CID 20507445
2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]acetaldehyde
CID 14174444
(2R,4S)-4-methyl-2-(nitrosomethyl)-1,3-dioxolane
CID 89043720
2-(4-methyl-1,3-dioxolan-2-yl)acetic acid
CID 175556854
(2S)-2-ethyl-4-methyl-1,3-dioxolane
CID 59047916
(2S,4R)-2-(bromomethyl)-4-methyl-1,3-dioxolane
CID 21122318
[(4R)-4-methyl-1,3-dioxolan-2-yl]methanol
CID 142218805
(4S)-2-(bromomethyl)-4-methyl-1,3-dioxolane
CID 130671884
4-methyl-2-(2-methylprop-2-enyl)-1,3-dioxolane
CID 59066795
O-[(4-methyl-1,3-dioxolan-2-yl)methyl]hydroxylamine
CID 134925790
3-(4-methyl-1,3-dioxolan-2-yl)propan-1-ol
CID 154524660
(2S,4S)-2-hexyl-4-methyl-1,3-dioxolane
CID 36690472

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-methyl-1,3-dioxolan-2-yl]acetaldehyde?
The IUPAC name of 2-[(4R)-4-methyl-1,3-dioxolan-2-yl]acetaldehyde (CID 54408460) is 2-[(4R)-4-methyl-1,3-dioxolan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(4R)-4-methyl-1,3-dioxolan-2-yl]acetaldehyde?
The canonical SMILES for 2-[(4R)-4-methyl-1,3-dioxolan-2-yl]acetaldehyde is C[C@@H]1COC(CC=O)O1.
What is the InChIKey of 2-[(4R)-4-methyl-1,3-dioxolan-2-yl]acetaldehyde?
The InChIKey is VSKIDEQHKBHDKH-LWOQYNTDSA-N. The full InChI is InChI=1S/C6H10O3/c1-5-4-8-6(9-5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6?/m1/s1.
What are the key properties of 2-[(4R)-4-methyl-1,3-dioxolan-2-yl]acetaldehyde?
2-[(4R)-4-methyl-1,3-dioxolan-2-yl]acetaldehyde has a molecular weight of 130.14 g/mol, XLogP of 0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-methyl-1,3-dioxolan-2-yl]acetaldehyde is sourced from PubChem (CID 54408460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).