(4S)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

C6H10O3 — CID 11105390

IUPAC(4S)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESCC1(C)OC[C@@H](C=O)O1
InChIInChI=1S/C6H10O3/c1-6(2)8-4-5(3-7)9-6/h3,5H,4H2,1-2H3/t5-/m1/s1
InChIKeyYSGPYVWACGYQDJ-RXMQYKEDSA-N
MW130.14 g/mol
LogP0.34
Rot. Bonds1

About (4S)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

(4S)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (PubChem CID 11105390) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
PubChem CID11105390
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(4S)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESCC1(C)OC[C@@H](C=O)O1
InChIInChI=1S/C6H10O3/c1-6(2)8-4-5(3-7)9-6/h3,5H,4H2,1-2H3/t5-/m1/s1
InChIKeyYSGPYVWACGYQDJ-RXMQYKEDSA-N
XLogP0.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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

Methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 853166
Methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 853165
(R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 259712
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
2,2-Dimethyl-1,3-dioxolane-4-carboxaldehyde
CID 110702
Ethanone, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-, (S)-
CID 188603
Methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 539745
(R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanone
CID 11321006
2-(2-Methyl-1,3-dioxolan-2-yl)acetaldehyde
CID 11007926
2,3-o-(3-Pentylidene)-D-glyceraldehyde
CID 11789478

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The IUPAC name of (4S)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (CID 11105390) is (4S)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.
What is the SMILES notation for (4S)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The canonical SMILES for (4S)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is CC1(C)OC[C@@H](C=O)O1.
What is the InChIKey of (4S)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The InChIKey is YSGPYVWACGYQDJ-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10O3/c1-6(2)8-4-5(3-7)9-6/h3,5H,4H2,1-2H3/t5-/m1/s1.
What are the key properties of (4S)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
(4S)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde has a molecular weight of 130.14 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is sourced from PubChem (CID 11105390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).