2-[(5S)-5-[(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde

C14H24O6 — CID 134929863

IUPAC2-[(5S)-5-[(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde
SMILESC[C@H](C1COC(C)(C)O1)[C@@H]1OC(C)(C)OC1C(O)C=O
InChIInChI=1S/C14H24O6/c1-8(10-7-17-13(2,3)18-10)11-12(9(16)6-15)20-14(4,5)19-11/h6,8-12,16H,7H2,1-5H3/t8-,9?,10?,11+,12?/m1/s1
InChIKeyLKDLKYFDGPJZKV-QXTDZZLLSA-N
MW288.34 g/mol
LogP0.85
Rot. Bonds4

About 2-[(5S)-5-[(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde

2-[(5S)-5-[(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde (PubChem CID 134929863) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[(5S)-5-[(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde.

Molecular Properties

Compound Name2-[(5S)-5-[(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde
PubChem CID134929863
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name2-[(5S)-5-[(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde
SMILESC[C@H](C1COC(C)(C)O1)[C@@H]1OC(C)(C)OC1C(O)C=O
InChIInChI=1S/C14H24O6/c1-8(10-7-17-13(2,3)18-10)11-12(9(16)6-15)20-14(4,5)19-11/h6,8-12,16H,7H2,1-5H3/t8-,9?,10?,11+,12?/m1/s1
InChIKeyLKDLKYFDGPJZKV-QXTDZZLLSA-N
XLogP0.85
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-5-methyloxan-2-one
CID 10083252
(3S)-1,3-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropan-1-one
CID 102028147
(2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanal
CID 134855122
(2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoic acid
CID 134855154
(3S,4R,5S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-5-methyl-4-propan-2-yloxyhexan-2-one
CID 134855192
methyl (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoate
CID 134971265
(3R,4S,5R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-5-methyl-4-propan-2-yloxyhexan-2-one
CID 134971286
(3R,4S,5R)-4-butan-2-yloxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-5-methylhexan-2-one
CID 135012655
(3R,4S,5R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-5-methyl-3-propan-2-yloxyhexan-2-one
CID 135036904
(S)-3-Hydroxy-2,2-dimethyl-3-((4R, 4'R, 5R)-2,2,2',2'-tetramethyl-4,4'-bi(1,3-dioxolan)-5-yl)propanal
CID 139092185
5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,3,4,5-tetrahydroxypentanal
CID 58890568
5-[1-(2,2-Diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde
CID 58940243

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-5-[(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde?
The IUPAC name of 2-[(5S)-5-[(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde (CID 134929863) is 2-[(5S)-5-[(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde.
What is the SMILES notation for 2-[(5S)-5-[(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde?
The canonical SMILES for 2-[(5S)-5-[(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde is C[C@H](C1COC(C)(C)O1)[C@@H]1OC(C)(C)OC1C(O)C=O.
What is the InChIKey of 2-[(5S)-5-[(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde?
The InChIKey is LKDLKYFDGPJZKV-QXTDZZLLSA-N. The full InChI is InChI=1S/C14H24O6/c1-8(10-7-17-13(2,3)18-10)11-12(9(16)6-15)20-14(4,5)19-11/h6,8-12,16H,7H2,1-5H3/t8-,9?,10?,11+,12?/m1/s1.
What are the key properties of 2-[(5S)-5-[(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde?
2-[(5S)-5-[(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde has a molecular weight of 288.34 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-5-[(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde is sourced from PubChem (CID 134929863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).