3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carbaldehyde

C11H18O3 — CID 131142592

IUPAC3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carbaldehyde
SMILESCC1CCC(CC2(C=O)CCOC2)O1
InChIInChI=1S/C11H18O3/c1-9-2-3-10(14-9)6-11(7-12)4-5-13-8-11/h7,9-10H,2-6,8H2,1H3
InChIKeyYDNUWBYIVZKEGU-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.55
Rot. Bonds3

About 3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carbaldehyde

3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carbaldehyde (PubChem CID 131142592) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carbaldehyde
PubChem CID131142592
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carbaldehyde
SMILESCC1CCC(CC2(C=O)CCOC2)O1
InChIInChI=1S/C11H18O3/c1-9-2-3-10(14-9)6-11(7-12)4-5-13-8-11/h7,9-10H,2-6,8H2,1H3
InChIKeyYDNUWBYIVZKEGU-UHFFFAOYSA-N
XLogP1.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,6-dimethylmorpholin-4-yl)methyl]oxolane-3-carbaldehyde
CID 62278460
3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]oxolane-3-carbaldehyde
CID 102936290
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)oxolane-3-carbaldehyde
CID 115561832
3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]oxane-3-carbaldehyde
CID 104960586
3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]oxolane-3-carbaldehyde
CID 112628863
[1-[(5-methyloxolan-2-yl)methyl]cyclopentyl]methanamine
CID 103138397
1-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-amine
CID 103142102
3-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]oxolane-3-carbaldehyde
CID 114780218
3-(bromomethyl)-2-methyl-3-[(5-methyloxolan-2-yl)methyl]oxolane
CID 103142753
3-[(4-methylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde
CID 62277704
[1-[(5-methyloxolan-2-yl)methyl]cyclohexyl]methanamine
CID 103138394
3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde
CID 62277416

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carbaldehyde (CID 131142592) is 3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carbaldehyde is CC1CCC(CC2(C=O)CCOC2)O1.
What is the InChIKey of 3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carbaldehyde?
The InChIKey is YDNUWBYIVZKEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-9-2-3-10(14-9)6-11(7-12)4-5-13-8-11/h7,9-10H,2-6,8H2,1H3.
What are the key properties of 3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carbaldehyde?
3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carbaldehyde has a molecular weight of 198.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 131142592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).