8-(2,5-dimethoxy-4-methylphenyl)-7,7-dimethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde

C19H26O5 — CID 71601416

IUPAC8-(2,5-dimethoxy-4-methylphenyl)-7,7-dimethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde
SMILESCOc1cc(C2(C=O)CC3(CC2(C)C)OCCO3)c(OC)cc1C
InChIInChI=1S/C19H26O5/c1-13-8-16(22-5)14(9-15(13)21-4)18(12-20)11-19(10-17(18,2)3)23-6-7-24-19/h8-9,12H,6-7,10-11H2,1-5H3
InChIKeyWTWLAUDGWMYFAP-UHFFFAOYSA-N
MW334.41 g/mol
LogP3.01
Rot. Bonds4

About 8-(2,5-dimethoxy-4-methylphenyl)-7,7-dimethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde

8-(2,5-dimethoxy-4-methylphenyl)-7,7-dimethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde (PubChem CID 71601416) has the molecular formula C19H26O5 and a molecular weight of 334.41 g/mol. Its IUPAC name is 8-(2,5-dimethoxy-4-methylphenyl)-7,7-dimethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde.

Molecular Properties

Compound Name8-(2,5-dimethoxy-4-methylphenyl)-7,7-dimethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde
PubChem CID71601416
Molecular FormulaC19H26O5
Molecular Weight334.41 g/mol
Exact Mass334.18
IUPAC Name8-(2,5-dimethoxy-4-methylphenyl)-7,7-dimethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde
SMILESCOc1cc(C2(C=O)CC3(CC2(C)C)OCCO3)c(OC)cc1C
InChIInChI=1S/C19H26O5/c1-13-8-16(22-5)14(9-15(13)21-4)18(12-20)11-19(10-17(18,2)3)23-6-7-24-19/h8-9,12H,6-7,10-11H2,1-5H3
InChIKeyWTWLAUDGWMYFAP-UHFFFAOYSA-N
XLogP3.01
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-(2,5-dimethoxy-4-methylphenyl)-7,7-dimethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde with MolForge

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Related Compounds

1'-(2,5-dimethoxy-4-methylphenyl)-5',5'-dimethylspiro[1,3-dioxolane-2,3'-7-oxabicyclo[4.1.0]heptane]
CID 78128638
2-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-dioxolane
CID 82127880
3-[2-(4-methoxy-2,5-dimethylphenyl)-1,3-dioxolan-2-yl]propan-1-amine
CID 94277490
4-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]butan-2-one
CID 116873901
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
5-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazolidin-2-one
CID 82049150
2-(4,5-dimethoxy-2-methylphenyl)-1,2,4-trimethylazetidine
CID 123959418
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
4-methoxy-2,5-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide
CID 110359367
1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]propan-2-one
CID 116873839
ethyl 2-(2,5-dimethoxy-4-methylphenyl)-2-methylcyclopent-3-ene-1-carboxylate
CID 11580339
1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanone
CID 116873741

Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dimethoxy-4-methylphenyl)-7,7-dimethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde?
The IUPAC name of 8-(2,5-dimethoxy-4-methylphenyl)-7,7-dimethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde (CID 71601416) is 8-(2,5-dimethoxy-4-methylphenyl)-7,7-dimethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde.
What is the SMILES notation for 8-(2,5-dimethoxy-4-methylphenyl)-7,7-dimethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde?
The canonical SMILES for 8-(2,5-dimethoxy-4-methylphenyl)-7,7-dimethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde is COc1cc(C2(C=O)CC3(CC2(C)C)OCCO3)c(OC)cc1C.
What is the InChIKey of 8-(2,5-dimethoxy-4-methylphenyl)-7,7-dimethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde?
The InChIKey is WTWLAUDGWMYFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O5/c1-13-8-16(22-5)14(9-15(13)21-4)18(12-20)11-19(10-17(18,2)3)23-6-7-24-19/h8-9,12H,6-7,10-11H2,1-5H3.
What are the key properties of 8-(2,5-dimethoxy-4-methylphenyl)-7,7-dimethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde?
8-(2,5-dimethoxy-4-methylphenyl)-7,7-dimethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde has a molecular weight of 334.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dimethoxy-4-methylphenyl)-7,7-dimethyl-1,4-dioxaspiro[4.4]nonane-8-carbaldehyde is sourced from PubChem (CID 71601416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).