4-(propan-2-yloxymethyl)-1,3-dioxolane-2-carbaldehyde

C8H14O4 — CID 174783735

IUPAC4-(propan-2-yloxymethyl)-1,3-dioxolane-2-carbaldehyde
SMILESCC(C)OCC1COC(C=O)O1
InChIInChI=1S/C8H14O4/c1-6(2)10-4-7-5-11-8(3-9)12-7/h3,6-8H,4-5H2,1-2H3
InChIKeyZBGQILGOQLOPQW-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.35
Rot. Bonds4

About 4-(propan-2-yloxymethyl)-1,3-dioxolane-2-carbaldehyde

4-(propan-2-yloxymethyl)-1,3-dioxolane-2-carbaldehyde (PubChem CID 174783735) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-(propan-2-yloxymethyl)-1,3-dioxolane-2-carbaldehyde.

Molecular Properties

Compound Name4-(propan-2-yloxymethyl)-1,3-dioxolane-2-carbaldehyde
PubChem CID174783735
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name4-(propan-2-yloxymethyl)-1,3-dioxolane-2-carbaldehyde
SMILESCC(C)OCC1COC(C=O)O1
InChIInChI=1S/C8H14O4/c1-6(2)10-4-7-5-11-8(3-9)12-7/h3,6-8H,4-5H2,1-2H3
InChIKeyZBGQILGOQLOPQW-UHFFFAOYSA-N
XLogP0.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(propan-2-yloxymethyl)oxirane
CID 159998967
(2S)-2-(propan-2-yloxymethyl)-1,4-dioxane
CID 167458864
1-(oxiran-2-ylmethoxy)ethanamine
CID 130292873
2-(1-bromoethoxymethyl)oxirane
CID 20568723
2-(1-iodoethoxymethyl)oxirane
CID 89194519
4-(propan-2-yloxymethyl)oxetan-2-one
CID 11829566
1-(2-formyl-1,3-dioxolan-4-yl)ethyl sulfite
CID 174677516
2-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(oxiran-2-ylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxymethyl]oxirane
CID 177277165
4-chloro-1,3-dioxolane-2-carbaldehyde
CID 174481906
2-methyl-3-(oxiran-2-yl)propanal
CID 91185266
2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane
CID 101275367
2-methyl-N-[[5-(propan-2-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62458043

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-yloxymethyl)-1,3-dioxolane-2-carbaldehyde?
The IUPAC name of 4-(propan-2-yloxymethyl)-1,3-dioxolane-2-carbaldehyde (CID 174783735) is 4-(propan-2-yloxymethyl)-1,3-dioxolane-2-carbaldehyde.
What is the SMILES notation for 4-(propan-2-yloxymethyl)-1,3-dioxolane-2-carbaldehyde?
The canonical SMILES for 4-(propan-2-yloxymethyl)-1,3-dioxolane-2-carbaldehyde is CC(C)OCC1COC(C=O)O1.
What is the InChIKey of 4-(propan-2-yloxymethyl)-1,3-dioxolane-2-carbaldehyde?
The InChIKey is ZBGQILGOQLOPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-6(2)10-4-7-5-11-8(3-9)12-7/h3,6-8H,4-5H2,1-2H3.
What are the key properties of 4-(propan-2-yloxymethyl)-1,3-dioxolane-2-carbaldehyde?
4-(propan-2-yloxymethyl)-1,3-dioxolane-2-carbaldehyde has a molecular weight of 174.20 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-yloxymethyl)-1,3-dioxolane-2-carbaldehyde is sourced from PubChem (CID 174783735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).