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

C11H16O3 — CID 130025959

IUPAC7,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde
SMILESCC1=CC2(CCC1(C)C=O)OCCO2
InChIInChI=1S/C11H16O3/c1-9-7-11(13-5-6-14-11)4-3-10(9,2)8-12/h7-8H,3-6H2,1-2H3
InChIKeyMAPMFHTXTRRUBT-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.67
Rot. Bonds1

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

7,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde (PubChem CID 130025959) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 7,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde.

Molecular Properties

Compound Name7,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde
PubChem CID130025959
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name7,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde
SMILESCC1=CC2(CCC1(C)C=O)OCCO2
InChIInChI=1S/C11H16O3/c1-9-7-11(13-5-6-14-11)4-3-10(9,2)8-12/h7-8H,3-6H2,1-2H3
InChIKeyMAPMFHTXTRRUBT-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-Dioxaspiro[4.5]dec-6-en-8-one, 7,9,9-trimethyl-
CID 11769425
(8'aS)-8'a-methylspiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-one
CID 14974598
(1S,5S)-1,2-dimethyl-5-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclopent-2-ene-1-carbaldehyde
CID 134895225
8-Ethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde
CID 134922899
(8'aR)-8'a-methylspiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-1'-one
CID 134986625
2,2-Dimethyl-4-(2-prop-1-en-2-yl-1,3-dioxolan-2-yl)butanal
CID 135025674
7,9,9-Trimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 15564254
2-(7,9,9-Trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ylidene)acetaldehyde
CID 54457203
(2E)-2-(7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ylidene)acetaldehyde
CID 88843396
6-Iodo-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde
CID 88877147
spiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene]-3'a-carbaldehyde
CID 122635452
1',1'-Dimethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydroindene]-3'a-carbaldehyde
CID 134495929

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde?
The IUPAC name of 7,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde (CID 130025959) is 7,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde.
What is the SMILES notation for 7,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde?
The canonical SMILES for 7,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde is CC1=CC2(CCC1(C)C=O)OCCO2.
What is the InChIKey of 7,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde?
The InChIKey is MAPMFHTXTRRUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-9-7-11(13-5-6-14-11)4-3-10(9,2)8-12/h7-8H,3-6H2,1-2H3.
What are the key properties of 7,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde?
7,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde has a molecular weight of 196.25 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde is sourced from PubChem (CID 130025959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).