4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3,5-dimethylbenzaldehyde

C17H22O4 — CID 79901924

IUPAC4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3,5-dimethylbenzaldehyde
SMILESCc1cc(C=O)cc(C)c1OC1CCOC2(CCOC2)C1
InChIInChI=1S/C17H22O4/c1-12-7-14(10-18)8-13(2)16(12)21-15-3-5-20-17(9-15)4-6-19-11-17/h7-8,10,15H,3-6,9,11H2,1-2H3
InChIKeySIACRDLALXLXAM-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.83
Rot. Bonds3

About 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3,5-dimethylbenzaldehyde

4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3,5-dimethylbenzaldehyde (PubChem CID 79901924) has the molecular formula C17H22O4 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3,5-dimethylbenzaldehyde.

Molecular Properties

Compound Name4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3,5-dimethylbenzaldehyde
PubChem CID79901924
Molecular FormulaC17H22O4
Molecular Weight290.36 g/mol
Exact Mass290.15
IUPAC Name4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3,5-dimethylbenzaldehyde
SMILESCc1cc(C=O)cc(C)c1OC1CCOC2(CCOC2)C1
InChIInChI=1S/C17H22O4/c1-12-7-14(10-18)8-13(2)16(12)21-15-3-5-20-17(9-15)4-6-19-11-17/h7-8,10,15H,3-6,9,11H2,1-2H3
InChIKeySIACRDLALXLXAM-UHFFFAOYSA-N
XLogP2.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-[4-bromo-2-(bromomethyl)-6-methylphenoxy]-2,6-dioxaspiro[4.5]decane
CID 115962401
3-chloro-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzaldehyde
CID 115955623
9-(4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 79922926
9-(3-fluoro-4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 107171386
3-bromo-5-methoxy-4-(5-oxaspiro[3.5]nonan-8-yloxy)benzaldehyde
CID 79901943
9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 103432370
1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]-N-methylmethanamine
CID 115952199
3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methylphenol
CID 107680307
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-fluoro-2-methylaniline
CID 114415938
2-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methylphenyl]ethanamine
CID 115957697
3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-methylbenzenecarboximidamide
CID 107657216
9-[2,4-dichloro-6-(chloromethyl)phenoxy]-2,6-dioxaspiro[4.5]decane
CID 79899968

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3,5-dimethylbenzaldehyde?
The IUPAC name of 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3,5-dimethylbenzaldehyde (CID 79901924) is 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3,5-dimethylbenzaldehyde.
What is the SMILES notation for 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3,5-dimethylbenzaldehyde?
The canonical SMILES for 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3,5-dimethylbenzaldehyde is Cc1cc(C=O)cc(C)c1OC1CCOC2(CCOC2)C1.
What is the InChIKey of 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3,5-dimethylbenzaldehyde?
The InChIKey is SIACRDLALXLXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O4/c1-12-7-14(10-18)8-13(2)16(12)21-15-3-5-20-17(9-15)4-6-19-11-17/h7-8,10,15H,3-6,9,11H2,1-2H3.
What are the key properties of 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3,5-dimethylbenzaldehyde?
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3,5-dimethylbenzaldehyde has a molecular weight of 290.36 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3,5-dimethylbenzaldehyde is sourced from PubChem (CID 79901924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).