2-[(5R)-2,2-dimethyl-5-[(4S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxolan-4-yl]acetaldehyde

C14H24O5 — CID 58940093

IUPAC2-[(5R)-2,2-dimethyl-5-[(4S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxolan-4-yl]acetaldehyde
SMILESCC1COC(C)(C)O[C@@H]1[C@@H]1OC(C)(C)OC1CC=O
InChIInChI=1S/C14H24O5/c1-9-8-16-13(2,3)18-11(9)12-10(6-7-15)17-14(4,5)19-12/h7,9-12H,6,8H2,1-5H3/t9?,10?,11-,12+/m0/s1
InChIKeyPYCRBYQZHUEMKZ-MMVSWEMESA-N
MW272.34 g/mol
LogP1.88
Rot. Bonds3

About 2-[(5R)-2,2-dimethyl-5-[(4S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxolan-4-yl]acetaldehyde

2-[(5R)-2,2-dimethyl-5-[(4S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxolan-4-yl]acetaldehyde (PubChem CID 58940093) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[(5R)-2,2-dimethyl-5-[(4S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxolan-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(5R)-2,2-dimethyl-5-[(4S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxolan-4-yl]acetaldehyde
PubChem CID58940093
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name2-[(5R)-2,2-dimethyl-5-[(4S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxolan-4-yl]acetaldehyde
SMILESCC1COC(C)(C)O[C@@H]1[C@@H]1OC(C)(C)OC1CC=O
InChIInChI=1S/C14H24O5/c1-9-8-16-13(2,3)18-11(9)12-10(6-7-15)17-14(4,5)19-12/h7,9-12H,6,8H2,1-5H3/t9?,10?,11-,12+/m0/s1
InChIKeyPYCRBYQZHUEMKZ-MMVSWEMESA-N
XLogP1.88
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-methyl-2-[(2R,3R,7S,10R)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]propanoate
CID 13858406
methyl 2-methyl-2-[(2R,3R,7S,10S)-2,3,10-trimethyl-1,4,6-trioxaspiro[4.5]decan-7-yl]propanoate
CID 134860893
2-[(4R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde
CID 134922710
Spiro(3,7,9-trioxabicyclo[4.3.0]nonane)-5,2'-oxirane, 8,8-dimethyl-2
CID 540795
4-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 20580574
2-(4-Ethyl-2-methoxy-8-oxo-1,3,9-trioxaspiro[4.5]decan-6-yl)propanal
CID 89219602
2-[(5R)-2,2-dimethyl-5-[(4R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxolan-4-yl]acetaldehyde
CID 89335805
[(6R,7S,7aS)-7-acetyloxy-3-methyl-2-oxo-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-6-yl] acetate
CID 139475923
ethyl 3-[(4R,5R)-5-[2-(ethoxymethyl)-3-oxopropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 144193769
4-(4-Methyl-5-oxooxolan-2-yl)-1,3-dioxan-2-one
CID 166746935
2-[(2R,3R,4S,6R)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methyloxan-2-yl]acetaldehyde
CID 168193737
3-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propanal
CID 10932809

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2,2-dimethyl-5-[(4S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxolan-4-yl]acetaldehyde?
The IUPAC name of 2-[(5R)-2,2-dimethyl-5-[(4S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxolan-4-yl]acetaldehyde (CID 58940093) is 2-[(5R)-2,2-dimethyl-5-[(4S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxolan-4-yl]acetaldehyde.
What is the SMILES notation for 2-[(5R)-2,2-dimethyl-5-[(4S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxolan-4-yl]acetaldehyde?
The canonical SMILES for 2-[(5R)-2,2-dimethyl-5-[(4S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxolan-4-yl]acetaldehyde is CC1COC(C)(C)O[C@@H]1[C@@H]1OC(C)(C)OC1CC=O.
What is the InChIKey of 2-[(5R)-2,2-dimethyl-5-[(4S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxolan-4-yl]acetaldehyde?
The InChIKey is PYCRBYQZHUEMKZ-MMVSWEMESA-N. The full InChI is InChI=1S/C14H24O5/c1-9-8-16-13(2,3)18-11(9)12-10(6-7-15)17-14(4,5)19-12/h7,9-12H,6,8H2,1-5H3/t9?,10?,11-,12+/m0/s1.
What are the key properties of 2-[(5R)-2,2-dimethyl-5-[(4S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxolan-4-yl]acetaldehyde?
2-[(5R)-2,2-dimethyl-5-[(4S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxolan-4-yl]acetaldehyde has a molecular weight of 272.34 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2,2-dimethyl-5-[(4S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxolan-4-yl]acetaldehyde is sourced from PubChem (CID 58940093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).