(2R,3R)-2-(butoxymethyl)oxolane-3-carbaldehyde

C10H18O3 — CID 171770434

IUPAC(2R,3R)-2-(butoxymethyl)oxolane-3-carbaldehyde
SMILESCCCCOC[C@@H]1OCC[C@H]1C=O
InChIInChI=1S/C10H18O3/c1-2-3-5-12-8-10-9(7-11)4-6-13-10/h7,9-10H,2-6,8H2,1H3/t9-,10-/m0/s1
InChIKeyVOIKXNVKTVKGBL-UWVGGRQHSA-N
MW186.25 g/mol
LogP1.41
Rot. Bonds6

About (2R,3R)-2-(butoxymethyl)oxolane-3-carbaldehyde

(2R,3R)-2-(butoxymethyl)oxolane-3-carbaldehyde (PubChem CID 171770434) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2R,3R)-2-(butoxymethyl)oxolane-3-carbaldehyde.

Molecular Properties

Compound Name(2R,3R)-2-(butoxymethyl)oxolane-3-carbaldehyde
PubChem CID171770434
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(2R,3R)-2-(butoxymethyl)oxolane-3-carbaldehyde
SMILESCCCCOC[C@@H]1OCC[C@H]1C=O
InChIInChI=1S/C10H18O3/c1-2-3-5-12-8-10-9(7-11)4-6-13-10/h7,9-10H,2-6,8H2,1H3/t9-,10-/m0/s1
InChIKeyVOIKXNVKTVKGBL-UWVGGRQHSA-N
XLogP1.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.41
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'}

Analyze (2R,3R)-2-(butoxymethyl)oxolane-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R)-2-(butoxymethyl)oxetan-3-amine
CID 90365743
[[(3R)-2-(butoxymethyl)oxolan-3-yl]oxy-pentylphosphoryl]-dimethylborane
CID 174118385
CID 166063430
CID 166063430
(3R)-3,4-dibutoxy-2-(butoxymethyl)-3,4-dihydro-2H-pyran-6-carbaldehyde
CID 89032568
[(2S)-3-(butoxymethyl)oxiran-2-yl]methanol
CID 89194716
3-ethyl-2-[4-[(3-ethyloxetan-2-yl)methoxy]butoxymethyl]oxetane
CID 18705345
(2S,3R)-2-butyl-3-[(1E)-2-methylbuta-1,3-dienyl]oxolane
CID 134968921
(2R,3S)-2-methyloxolane-3-carbaldehyde
CID 12560931
2-(butoxymethyl)oxirane;oxonane
CID 20569142
2-ethyl-3-(hexoxymethyl)oxetane
CID 141321228
1-butoxybutane;2-methyloxirane;oxirane
CID 129186869
2-(pentoxymethyl)oxirane
CID 160890113

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(butoxymethyl)oxolane-3-carbaldehyde?
The IUPAC name of (2R,3R)-2-(butoxymethyl)oxolane-3-carbaldehyde (CID 171770434) is (2R,3R)-2-(butoxymethyl)oxolane-3-carbaldehyde.
What is the SMILES notation for (2R,3R)-2-(butoxymethyl)oxolane-3-carbaldehyde?
The canonical SMILES for (2R,3R)-2-(butoxymethyl)oxolane-3-carbaldehyde is CCCCOC[C@@H]1OCC[C@H]1C=O.
What is the InChIKey of (2R,3R)-2-(butoxymethyl)oxolane-3-carbaldehyde?
The InChIKey is VOIKXNVKTVKGBL-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-3-5-12-8-10-9(7-11)4-6-13-10/h7,9-10H,2-6,8H2,1H3/t9-,10-/m0/s1.
What are the key properties of (2R,3R)-2-(butoxymethyl)oxolane-3-carbaldehyde?
(2R,3R)-2-(butoxymethyl)oxolane-3-carbaldehyde has a molecular weight of 186.25 g/mol, XLogP of 1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(butoxymethyl)oxolane-3-carbaldehyde is sourced from PubChem (CID 171770434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).