2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde

C11H18O3 — CID 14635962

IUPAC2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde
SMILESCCC1OC2(CCCC2)OC1(C)C=O
InChIInChI=1S/C11H18O3/c1-3-9-10(2,8-12)14-11(13-9)6-4-5-7-11/h8-9H,3-7H2,1-2H3
InChIKeyYLLDCLDLCWKWPD-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.04
Rot. Bonds2

About 2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde

2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde (PubChem CID 14635962) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde.

Molecular Properties

Compound Name2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde
PubChem CID14635962
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde
SMILESCCC1OC2(CCCC2)OC1(C)C=O
InChIInChI=1S/C11H18O3/c1-3-9-10(2,8-12)14-11(13-9)6-4-5-7-11/h8-9H,3-7H2,1-2H3
InChIKeyYLLDCLDLCWKWPD-UHFFFAOYSA-N
XLogP2.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.04
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

(4S,5R)-4-ethenyl-5-ethyl-2,2,4-trimethyl-1,3-dioxolane
CID 135043605
(4S,5S)-4-ethenyl-5-ethyl-2,2,4-trimethyl-1,3-dioxolane
CID 54577276
(4S,6S)-6-ethyl-2,2-dimethyl-1,3-dioxane-4-carbaldehyde
CID 59093862
2-ethyl-3-methylidene-1,4-dioxaspiro[4.4]nonane
CID 176555233
3-ethyl-1,4-dioxaspiro[4.4]nonane
CID 20802298
(1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecane
CID 71019394
1,2-diethylcyclohexane-1-carbaldehyde
CID 138734421
(3R)-3-ethyl-2,2-dimethyloxirane
CID 12568504
(3S)-3-ethyl-1,4-dioxaspiro[4.5]decane
CID 129156956
(4R,5R)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde
CID 15632545
[(E)-2-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]ethenyl]-trimethylsilane
CID 10487752
(2R,3S)-1,4-dioxaspiro[4.5]decane-2,3-dicarbaldehyde
CID 89064448

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde?
The IUPAC name of 2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde (CID 14635962) is 2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde.
What is the SMILES notation for 2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde?
The canonical SMILES for 2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde is CCC1OC2(CCCC2)OC1(C)C=O.
What is the InChIKey of 2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde?
The InChIKey is YLLDCLDLCWKWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-9-10(2,8-12)14-11(13-9)6-4-5-7-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde?
2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde has a molecular weight of 198.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde is sourced from PubChem (CID 14635962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).