3-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propanal

C11H18O4 — CID 10932809

IUPAC3-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propanal
SMILESCC1OCC[C@]2(CCO[C@@H]2CCC=O)O1
InChIInChI=1S/C11H18O4/c1-9-13-7-4-11(15-9)5-8-14-10(11)3-2-6-12/h6,9-10H,2-5,7-8H2,1H3/t9?,10-,11-/m1/s1
InChIKeyMHLDKGPYSVZTFN-FHZGLPGMSA-N
MW214.26 g/mol
LogP1.28
Rot. Bonds3

About 3-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propanal

3-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propanal (PubChem CID 10932809) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propanal.

Molecular Properties

Compound Name3-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propanal
PubChem CID10932809
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name3-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propanal
SMILESCC1OCC[C@]2(CCO[C@@H]2CCC=O)O1
InChIInChI=1S/C11H18O4/c1-9-13-7-4-11(15-9)5-8-14-10(11)3-2-6-12/h6,9-10H,2-5,7-8H2,1H3/t9?,10-,11-/m1/s1
InChIKeyMHLDKGPYSVZTFN-FHZGLPGMSA-N
XLogP1.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propanal 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

3-[(5R,8R,10R)-8-[(2S)-2-methyl-5-oxooxolan-2-yl]-2-oxo-1,3,9-trioxaspiro[4.5]decan-10-yl]propanal
CID 53360796
(7R,10R)-6,10-dihydroxy-7-methoxy-9-methyl-1,8-dioxaspiro[4.5]decan-2-one
CID 138963982
2-[(5R)-2,2-dimethyl-5-[(4S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxolan-4-yl]acetaldehyde
CID 58940093
4,6-Diethyl-2-methoxy-1,3,9-trioxaspiro[4.5]decan-8-one
CID 71045023
2-Ethoxy-4,4,6-triethyl-10-methyl-1,3,9-trioxaspiro[4.5]decan-8-one
CID 71045027
3-[(3aR,5R)-6-butoxy-5-(butoxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]propanal
CID 89079320
2-(4-Ethyl-2-methoxy-8-oxo-1,3,9-trioxaspiro[4.5]decan-6-yl)propanal
CID 89219602
2-[(5R)-2,2-dimethyl-5-[(4R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxolan-4-yl]acetaldehyde
CID 89335805
3-[(3aR,5R,6aS)-6-butoxy-5-(butoxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]propanal
CID 89615409
Ethyl 4-[4-(1,3-dioxolan-2-yl)-2,2-dimethyl-6-oxo-1,3-dioxan-4-yl]butanoate
CID 10495604
1-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propan-2-one
CID 10910892
[(3aS,5S,6R,7aR)-5-acetyloxy-2-oxo-3,3a,4,5,6,7a-hexahydrofuro[2,3-b]pyran-6-yl]methyl acetate
CID 14272617

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propanal?
The IUPAC name of 3-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propanal (CID 10932809) is 3-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propanal.
What is the SMILES notation for 3-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propanal?
The canonical SMILES for 3-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propanal is CC1OCC[C@]2(CCO[C@@H]2CCC=O)O1.
What is the InChIKey of 3-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propanal?
The InChIKey is MHLDKGPYSVZTFN-FHZGLPGMSA-N. The full InChI is InChI=1S/C11H18O4/c1-9-13-7-4-11(15-9)5-8-14-10(11)3-2-6-12/h6,9-10H,2-5,7-8H2,1H3/t9?,10-,11-/m1/s1.
What are the key properties of 3-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propanal?
3-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propanal has a molecular weight of 214.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,5S)-7-methyl-2,6,8-trioxaspiro[4.5]decan-1-yl]propanal is sourced from PubChem (CID 10932809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).