2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]acetaldehyde

C8H14O3 — CID 14174444

IUPAC2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]acetaldehyde
SMILESC[C@@H]1C[C@@H](C)OC(CC=O)O1
InChIInChI=1S/C8H14O3/c1-6-5-7(2)11-8(10-6)3-4-9/h4,6-8H,3,5H2,1-2H3/t6-,7-/m1/s1
InChIKeyGQSCMHOLEVGSKS-RNFRBKRXSA-N
MW158.20 g/mol
LogP1.12
Rot. Bonds2

About 2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]acetaldehyde

2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]acetaldehyde (PubChem CID 14174444) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]acetaldehyde
PubChem CID14174444
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]acetaldehyde
SMILESC[C@@H]1C[C@@H](C)OC(CC=O)O1
InChIInChI=1S/C8H14O3/c1-6-5-7(2)11-8(10-6)3-4-9/h4,6-8H,3,5H2,1-2H3/t6-,7-/m1/s1
InChIKeyGQSCMHOLEVGSKS-RNFRBKRXSA-N
XLogP1.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]acetaldehyde?
The IUPAC name of 2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]acetaldehyde (CID 14174444) is 2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]acetaldehyde?
The canonical SMILES for 2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]acetaldehyde is C[C@@H]1C[C@@H](C)OC(CC=O)O1.
What is the InChIKey of 2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]acetaldehyde?
The InChIKey is GQSCMHOLEVGSKS-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H14O3/c1-6-5-7(2)11-8(10-6)3-4-9/h4,6-8H,3,5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of 2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]acetaldehyde?
2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]acetaldehyde has a molecular weight of 158.20 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]acetaldehyde is sourced from PubChem (CID 14174444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).