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

C13H24O3 — CID 11276253

IUPAC2-[(4R,5R)-5-hexyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
SMILESCCCCCC[C@H]1OC(C)(C)O[C@@H]1CC=O
InChIInChI=1S/C13H24O3/c1-4-5-6-7-8-11-12(9-10-14)16-13(2,3)15-11/h10-12H,4-9H2,1-3H3/t11-,12-/m1/s1
InChIKeyVAMXQNSLHYPZFM-VXGBXAGGSA-N
MW228.33 g/mol
LogP3.07
Rot. Bonds7

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

2-[(4R,5R)-5-hexyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde (PubChem CID 11276253) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-[(4R,5R)-5-hexyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(4R,5R)-5-hexyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
PubChem CID11276253
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name2-[(4R,5R)-5-hexyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
SMILESCCCCCC[C@H]1OC(C)(C)O[C@@H]1CC=O
InChIInChI=1S/C13H24O3/c1-4-5-6-7-8-11-12(9-10-14)16-13(2,3)15-11/h10-12H,4-9H2,1-3H3/t11-,12-/m1/s1
InChIKeyVAMXQNSLHYPZFM-VXGBXAGGSA-N
XLogP3.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R,5R)-5-hexyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?
The IUPAC name of 2-[(4R,5R)-5-hexyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde (CID 11276253) is 2-[(4R,5R)-5-hexyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde.
What is the SMILES notation for 2-[(4R,5R)-5-hexyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?
The canonical SMILES for 2-[(4R,5R)-5-hexyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde is CCCCCC[C@H]1OC(C)(C)O[C@@H]1CC=O.
What is the InChIKey of 2-[(4R,5R)-5-hexyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?
The InChIKey is VAMXQNSLHYPZFM-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H24O3/c1-4-5-6-7-8-11-12(9-10-14)16-13(2,3)15-11/h10-12H,4-9H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of 2-[(4R,5R)-5-hexyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?
2-[(4R,5R)-5-hexyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde has a molecular weight of 228.33 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,5R)-5-hexyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde is sourced from PubChem (CID 11276253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).