(2R,3S)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2-methylpropanal

C13H24O5 — CID 10777741

IUPAC(2R,3S)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2-methylpropanal
SMILESCCC1(CC)OC[C@H]([C@@H](OCOC)[C@@H](C)C=O)O1
InChIInChI=1S/C13H24O5/c1-5-13(6-2)17-8-11(18-13)12(10(3)7-14)16-9-15-4/h7,10-12H,5-6,8-9H2,1-4H3/t10-,11+,12-/m0/s1
InChIKeyUEYUPPYNUAFPGZ-TUAOUCFPSA-N
MW260.33 g/mol
LogP1.74
Rot. Bonds8

About (2R,3S)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2-methylpropanal

(2R,3S)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2-methylpropanal (PubChem CID 10777741) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is (2R,3S)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2-methylpropanal.

Molecular Properties

Compound Name(2R,3S)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2-methylpropanal
PubChem CID10777741
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Name(2R,3S)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2-methylpropanal
SMILESCCC1(CC)OC[C@H]([C@@H](OCOC)[C@@H](C)C=O)O1
InChIInChI=1S/C13H24O5/c1-5-13(6-2)17-8-11(18-13)12(10(3)7-14)16-9-15-4/h7,10-12H,5-6,8-9H2,1-4H3/t10-,11+,12-/m0/s1
InChIKeyUEYUPPYNUAFPGZ-TUAOUCFPSA-N
XLogP1.74
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4R,5S)-5-((S)-2,4,7,9-Tetraoxadecan-5-yl)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 44511269
methyl (2S,3S)-3-acetyloxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropanoate
CID 102452517
(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
3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylpropanal
CID 139258979
(2R)-2-[(4R)-5-[(1R)-1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanal
CID 162416214
2-Bromo-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methoxy-2-methylpropanal
CID 87070192
Ethyl 2-formyl-3-(2-methyl-1,3-dioxolan-2-yl)propanoate
CID 87490507
(2S)-3-[(5R)-5-(1-butoxyethoxy)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropanal
CID 88987957
2-[(4R,5S)-5-(butoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 89102350

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2-methylpropanal?
The IUPAC name of (2R,3S)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2-methylpropanal (CID 10777741) is (2R,3S)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2-methylpropanal.
What is the SMILES notation for (2R,3S)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2-methylpropanal?
The canonical SMILES for (2R,3S)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2-methylpropanal is CCC1(CC)OC[C@H]([C@@H](OCOC)[C@@H](C)C=O)O1.
What is the InChIKey of (2R,3S)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2-methylpropanal?
The InChIKey is UEYUPPYNUAFPGZ-TUAOUCFPSA-N. The full InChI is InChI=1S/C13H24O5/c1-5-13(6-2)17-8-11(18-13)12(10(3)7-14)16-9-15-4/h7,10-12H,5-6,8-9H2,1-4H3/t10-,11+,12-/m0/s1.
What are the key properties of (2R,3S)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2-methylpropanal?
(2R,3S)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2-methylpropanal has a molecular weight of 260.33 g/mol, XLogP of 1.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-2-methylpropanal is sourced from PubChem (CID 10777741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).