6,8,8-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene-7-carbaldehyde

C12H18O3 — CID 10680009

IUPAC6,8,8-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene-7-carbaldehyde
SMILESCC1=C(C=O)C(C)(C)CC[13C]12OCCO2
InChIInChI=1S/C12H18O3/c1-9-10(8-13)11(2,3)4-5-12(9)14-6-7-15-12/h8H,4-7H2,1-3H3/i12+1
InChIKeyAQNDWBWCAYTGEZ-HNHCFKFXSA-N
MW211.27 g/mol
LogP2.06
Rot. Bonds1

About 6,8,8-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene-7-carbaldehyde

6,8,8-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene-7-carbaldehyde (PubChem CID 10680009) has the molecular formula C12H18O3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 6,8,8-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene-7-carbaldehyde.

Molecular Properties

Compound Name6,8,8-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene-7-carbaldehyde
PubChem CID10680009
Molecular FormulaC12H18O3
Molecular Weight211.27 g/mol
Exact Mass211.13
IUPAC Name6,8,8-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene-7-carbaldehyde
SMILESCC1=C(C=O)C(C)(C)CC[13C]12OCCO2
InChIInChI=1S/C12H18O3/c1-9-10(8-13)11(2,3)4-5-12(9)14-6-7-15-12/h8H,4-7H2,1-3H3/i12+1
InChIKeyAQNDWBWCAYTGEZ-HNHCFKFXSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.06
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

5,5-[Ethylenedioxy)-2,6,6-trimethyl-1-cyclohexencarboxaldehyde
CID 11138371
(3-Formyl-2,4,4-trimethylcyclohex-2-en-1-yl) acetate
CID 184626
7,8-Dimethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde
CID 130025959
3,3-Dimethyl-2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]cyclobutene-1-carbaldehyde
CID 71670472
3-[2-(Trifluoromethyl)-1,3-dioxolan-2-yl]spiro[3.5]non-2-ene-2-carbaldehyde
CID 71670474
2,6-Dimethyl-6-ethylenedioxymethyl-1-cyclohexene-1-carbaldehyde
CID 14778497
7,9,9-Trimethyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde
CID 14240044
(7'aR)-4'-ethyl-7'a-methylspiro[1,3-dioxolane-2,5'-2,3,6,7-tetrahydroindene]-1'-one
CID 118179636
Ethane;7-ethyl-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde
CID 145170727
5-(1,3-Dioxolan-2-yl)-2,6,6-trimethylcyclohexene-1-carbaldehyde
CID 10609192
6,8,8-Trimethyl-1,4-dioxaspiro[4.5]dec-6-ene-7-carbaldehyde
CID 10822350
1-(6-Methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl)propan-1-one
CID 10921759

Frequently Asked Questions

What is the IUPAC name of 6,8,8-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene-7-carbaldehyde?
The IUPAC name of 6,8,8-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene-7-carbaldehyde (CID 10680009) is 6,8,8-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene-7-carbaldehyde.
What is the SMILES notation for 6,8,8-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene-7-carbaldehyde?
The canonical SMILES for 6,8,8-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene-7-carbaldehyde is CC1=C(C=O)C(C)(C)CC[13C]12OCCO2.
What is the InChIKey of 6,8,8-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene-7-carbaldehyde?
The InChIKey is AQNDWBWCAYTGEZ-HNHCFKFXSA-N. The full InChI is InChI=1S/C12H18O3/c1-9-10(8-13)11(2,3)4-5-12(9)14-6-7-15-12/h8H,4-7H2,1-3H3/i12+1.
What are the key properties of 6,8,8-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene-7-carbaldehyde?
6,8,8-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene-7-carbaldehyde has a molecular weight of 211.27 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,8-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene-7-carbaldehyde is sourced from PubChem (CID 10680009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).