(4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

C14H24O5 — CID 11953532

IUPAC(4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESC[C@H](C[C@@H]1COC(C)(C)O1)[C@@H]1OC(C)(C)O[C@H]1C=O
InChIInChI=1S/C14H24O5/c1-9(6-10-8-16-13(2,3)17-10)12-11(7-15)18-14(4,5)19-12/h7,9-12H,6,8H2,1-5H3/t9-,10-,11+,12+/m1/s1
InChIKeyJXWMUQPVMUNZMP-WYUUTHIRSA-N
MW272.34 g/mol
LogP1.88
Rot. Bonds4

About (4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

(4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (PubChem CID 11953532) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is (4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.

Molecular Properties

Compound Name(4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
PubChem CID11953532
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name(4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESC[C@H](C[C@@H]1COC(C)(C)O1)[C@@H]1OC(C)(C)O[C@H]1C=O
InChIInChI=1S/C14H24O5/c1-9(6-10-8-16-13(2,3)17-10)12-11(7-15)18-14(4,5)19-12/h7,9-12H,6,8H2,1-5H3/t9-,10-,11+,12+/m1/s1
InChIKeyJXWMUQPVMUNZMP-WYUUTHIRSA-N
XLogP1.88
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
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'}

Analyze (4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde with MolForge

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Related Compounds

1-[(4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 11673650
(2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanal
CID 134855122
[(1R)-1-[(1R,2R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]-3-oxopropyl] acetate
CID 134922558
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
5-[1-(2,2-Diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde
CID 58940243
5-[2-(2,2-Diethyl-1,3-dioxolan-4-yl)ethyl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde
CID 58940394
5-[3-(2,2-Diethyl-1,3-dioxolan-4-yl)butan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde
CID 58940474
2-(1,4-Dioxaspiro[4.5]decan-8-yl)-2-ethoxyacetaldehyde
CID 91473188
Ethyl 3-formyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 156693312
[(1R)-1-[(1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]-3-oxopropyl] acetate
CID 10879702
ethyl (4R,5S,6R,8S,9S)-9-formyl-8-methoxy-2,2,6-trimethyl-1,3,10-trioxaspiro[4.5]decane-4-carboxylate
CID 11120649
(5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde
CID 11311460

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The IUPAC name of (4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (CID 11953532) is (4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.
What is the SMILES notation for (4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The canonical SMILES for (4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is C[C@H](C[C@@H]1COC(C)(C)O1)[C@@H]1OC(C)(C)O[C@H]1C=O.
What is the InChIKey of (4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The InChIKey is JXWMUQPVMUNZMP-WYUUTHIRSA-N. The full InChI is InChI=1S/C14H24O5/c1-9(6-10-8-16-13(2,3)17-10)12-11(7-15)18-14(4,5)19-12/h7,9-12H,6,8H2,1-5H3/t9-,10-,11+,12+/m1/s1.
What are the key properties of (4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
(4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde has a molecular weight of 272.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is sourced from PubChem (CID 11953532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).