(3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2,2-dimethylpropanal

C10H18O4 — CID 135007069

IUPAC(3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2,2-dimethylpropanal
SMILESCC1(C)OCC([C@H](O)C(C)(C)C=O)O1
InChIInChI=1S/C10H18O4/c1-9(2,6-11)8(12)7-5-13-10(3,4)14-7/h6-8,12H,5H2,1-4H3/t7?,8-/m0/s1
InChIKeyKIVTUGFUKDXZMR-MQWKRIRWSA-N
MW202.25 g/mol
LogP0.72
Rot. Bonds3

About (3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2,2-dimethylpropanal

(3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2,2-dimethylpropanal (PubChem CID 135007069) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2,2-dimethylpropanal.

Molecular Properties

Compound Name(3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2,2-dimethylpropanal
PubChem CID135007069
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2,2-dimethylpropanal
SMILESCC1(C)OCC([C@H](O)C(C)(C)C=O)O1
InChIInChI=1S/C10H18O4/c1-9(2,6-11)8(12)7-5-13-10(3,4)14-7/h6-8,12H,5H2,1-4H3/t7?,8-/m0/s1
InChIKeyKIVTUGFUKDXZMR-MQWKRIRWSA-N
XLogP0.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanoate
CID 101582412
(S)-3-((R)-2,2-Dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2,2-dimethylpropanal
CID 129035333
(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanal
CID 129035272
ethyl (3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanoate
CID 101582414
(R)-3-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2,2-dimethylpropanal
CID 102299112
(2S,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylpropanal
CID 129321831
(2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylpropanal
CID 130890695
(2R,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylpropanal
CID 130919497
(2S,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylpropanal
CID 131205294
(3R)-3-hydroxy-3-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]butanal
CID 135028373
(3S)-3-hydroxy-3-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]butanal
CID 135028510
(2S,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanal
CID 135038357

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2,2-dimethylpropanal?
The IUPAC name of (3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2,2-dimethylpropanal (CID 135007069) is (3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2,2-dimethylpropanal.
What is the SMILES notation for (3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2,2-dimethylpropanal?
The canonical SMILES for (3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2,2-dimethylpropanal is CC1(C)OCC([C@H](O)C(C)(C)C=O)O1.
What is the InChIKey of (3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2,2-dimethylpropanal?
The InChIKey is KIVTUGFUKDXZMR-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H18O4/c1-9(2,6-11)8(12)7-5-13-10(3,4)14-7/h6-8,12H,5H2,1-4H3/t7?,8-/m0/s1.
What are the key properties of (3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2,2-dimethylpropanal?
(3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2,2-dimethylpropanal has a molecular weight of 202.25 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2,2-dimethylpropanal is sourced from PubChem (CID 135007069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).