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

C12H18O3 — CID 11138371

IUPAC6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carbaldehyde
SMILESCC1=C(C=O)C(C)(C)C2(CC1)OCCO2
InChIInChI=1S/C12H18O3/c1-9-4-5-12(14-6-7-15-12)11(2,3)10(9)8-13/h8H,4-7H2,1-3H3
InChIKeyFQPGVXLTWCYNDA-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.06
Rot. Bonds1

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

6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carbaldehyde (PubChem CID 11138371) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carbaldehyde.

Molecular Properties

Compound Name6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carbaldehyde
PubChem CID11138371
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carbaldehyde
SMILESCC1=C(C=O)C(C)(C)C2(CC1)OCCO2
InChIInChI=1S/C12H18O3/c1-9-4-5-12(14-6-7-15-12)11(2,3)10(9)8-13/h8H,4-7H2,1-3H3
InChIKeyFQPGVXLTWCYNDA-UHFFFAOYSA-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 ≤ 500210.27
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

6-(Methoxymethoxymethyl)-2,6-dimethylcyclohexene-1-carbaldehyde
CID 14778493
2,6-Dimethyl-6-ethylenedioxymethyl-1-cyclohexene-1-carbaldehyde
CID 14778497
1',4'a-dimethylspiro[1,3-dioxolane-2,7'-4,5,6,8-tetrahydro-3H-naphthalene]-2'-one
CID 21610184
7,9,9-Trimethyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde
CID 14240044
6,6-Dimethyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carbaldehyde
CID 10104137
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 10680009
2-[5-(1,3-Dioxolan-2-yl)-2,6,6-trimethylcyclohexen-1-yl]acetaldehyde
CID 10799966
6,8,8-Trimethyl-1,4-dioxaspiro[4.5]dec-6-ene-7-carbaldehyde
CID 10822350
2-(6,6,8-Trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)acetaldehyde
CID 11020537
4-(2-Methoxypropan-2-yloxy)-2,6,6-trimethylcyclohexene-1-carbaldehyde
CID 21772450
2-(7,7,9-Trimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)acetaldehyde
CID 177411897

Frequently Asked Questions

What is the IUPAC name of 6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carbaldehyde?
The IUPAC name of 6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carbaldehyde (CID 11138371) is 6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carbaldehyde.
What is the SMILES notation for 6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carbaldehyde?
The canonical SMILES for 6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carbaldehyde is CC1=C(C=O)C(C)(C)C2(CC1)OCCO2.
What is the InChIKey of 6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carbaldehyde?
The InChIKey is FQPGVXLTWCYNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-9-4-5-12(14-6-7-15-12)11(2,3)10(9)8-13/h8H,4-7H2,1-3H3.
What are the key properties of 6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carbaldehyde?
6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carbaldehyde has a molecular weight of 210.27 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 6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carbaldehyde is sourced from PubChem (CID 11138371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).