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

C12H18O6 — CID 15432831

IUPAC(4R,5R)-5-[(4R,5R)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESCC1(C)O[C@H]([C@H]2OC(C)(C)O[C@H]2C=O)[C@H](C=O)O1
InChIInChI=1S/C12H18O6/c1-11(2)15-7(5-13)9(17-11)10-8(6-14)16-12(3,4)18-10/h5-10H,1-4H3/t7-,8-,9-,10-/m0/s1
InChIKeyZAKDWWRIHDUQNM-XKNYDFJKSA-N
MW258.27 g/mol
LogP0.42
Rot. Bonds3

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

(4R,5R)-5-[(4R,5R)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (PubChem CID 15432831) has the molecular formula C12H18O6 and a molecular weight of 258.27 g/mol. Its IUPAC name is (4R,5R)-5-[(4R,5R)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.

Molecular Properties

Compound Name(4R,5R)-5-[(4R,5R)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
PubChem CID15432831
Molecular FormulaC12H18O6
Molecular Weight258.27 g/mol
Exact Mass258.11
IUPAC Name(4R,5R)-5-[(4R,5R)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESCC1(C)O[C@H]([C@H]2OC(C)(C)O[C@H]2C=O)[C@H](C=O)O1
InChIInChI=1S/C12H18O6/c1-11(2)15-7(5-13)9(17-11)10-8(6-14)16-12(3,4)18-10/h5-10H,1-4H3/t7-,8-,9-,10-/m0/s1
InChIKeyZAKDWWRIHDUQNM-XKNYDFJKSA-N
XLogP0.42
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

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(3aR,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carbaldehyde
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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-[(4R,5R)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The IUPAC name of (4R,5R)-5-[(4R,5R)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (CID 15432831) is (4R,5R)-5-[(4R,5R)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.
What is the SMILES notation for (4R,5R)-5-[(4R,5R)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The canonical SMILES for (4R,5R)-5-[(4R,5R)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is CC1(C)O[C@H]([C@H]2OC(C)(C)O[C@H]2C=O)[C@H](C=O)O1.
What is the InChIKey of (4R,5R)-5-[(4R,5R)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The InChIKey is ZAKDWWRIHDUQNM-XKNYDFJKSA-N. The full InChI is InChI=1S/C12H18O6/c1-11(2)15-7(5-13)9(17-11)10-8(6-14)16-12(3,4)18-10/h5-10H,1-4H3/t7-,8-,9-,10-/m0/s1.
What are the key properties of (4R,5R)-5-[(4R,5R)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
(4R,5R)-5-[(4R,5R)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde has a molecular weight of 258.27 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-[(4R,5R)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is sourced from PubChem (CID 15432831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).