3-[(5,5-dimethyloxolan-2-yl)methoxy]benzaldehyde

C14H18O3 — CID 116521944

IUPAC3-[(5,5-dimethyloxolan-2-yl)methoxy]benzaldehyde
SMILESCC1(C)CCC(COc2cccc(C=O)c2)O1
InChIInChI=1S/C14H18O3/c1-14(2)7-6-13(17-14)10-16-12-5-3-4-11(8-12)9-15/h3-5,8-9,13H,6-7,10H2,1-2H3
InChIKeyNXLPPIPFXQKAAG-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.84
Rot. Bonds4

About 3-[(5,5-dimethyloxolan-2-yl)methoxy]benzaldehyde

3-[(5,5-dimethyloxolan-2-yl)methoxy]benzaldehyde (PubChem CID 116521944) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 3-[(5,5-dimethyloxolan-2-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-[(5,5-dimethyloxolan-2-yl)methoxy]benzaldehyde
PubChem CID116521944
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name3-[(5,5-dimethyloxolan-2-yl)methoxy]benzaldehyde
SMILESCC1(C)CCC(COc2cccc(C=O)c2)O1
InChIInChI=1S/C14H18O3/c1-14(2)7-6-13(17-14)10-16-12-5-3-4-11(8-12)9-15/h3-5,8-9,13H,6-7,10H2,1-2H3
InChIKeyNXLPPIPFXQKAAG-UHFFFAOYSA-N
XLogP2.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(5,5-dimethyloxolan-2-yl)methoxy]benzaldehyde 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

5-[(3-fluorophenoxy)methyl]-2,2-dimethyloxolane
CID 116524396
(5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane
CID 141293396
3-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]benzaldehyde
CID 116524155
3-[[(2S)-oxan-2-yl]methoxy]benzaldehyde
CID 93037571
3-(cyclobutylmethoxy)benzaldehyde
CID 58027526
3-(cycloheptylmethoxy)benzaldehyde
CID 86637613
2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-ethoxybenzaldehyde
CID 116521952
3-[(1-methylpyrrolidin-2-yl)methoxy]benzaldehyde
CID 117051893
5-[(3-formylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63570861
2,2-dimethyl-5-(naphthalen-1-yloxymethyl)oxolane
CID 116524402
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 104889478
1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 116520718

Frequently Asked Questions

What is the IUPAC name of 3-[(5,5-dimethyloxolan-2-yl)methoxy]benzaldehyde?
The IUPAC name of 3-[(5,5-dimethyloxolan-2-yl)methoxy]benzaldehyde (CID 116521944) is 3-[(5,5-dimethyloxolan-2-yl)methoxy]benzaldehyde.
What is the SMILES notation for 3-[(5,5-dimethyloxolan-2-yl)methoxy]benzaldehyde?
The canonical SMILES for 3-[(5,5-dimethyloxolan-2-yl)methoxy]benzaldehyde is CC1(C)CCC(COc2cccc(C=O)c2)O1.
What is the InChIKey of 3-[(5,5-dimethyloxolan-2-yl)methoxy]benzaldehyde?
The InChIKey is NXLPPIPFXQKAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-14(2)7-6-13(17-14)10-16-12-5-3-4-11(8-12)9-15/h3-5,8-9,13H,6-7,10H2,1-2H3.
What are the key properties of 3-[(5,5-dimethyloxolan-2-yl)methoxy]benzaldehyde?
3-[(5,5-dimethyloxolan-2-yl)methoxy]benzaldehyde has a molecular weight of 234.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,5-dimethyloxolan-2-yl)methoxy]benzaldehyde is sourced from PubChem (CID 116521944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).