3-methyl-5-oxaspiro[3.5]nonane-6-carbaldehyde

C10H16O2 — CID 130584919

IUPAC3-methyl-5-oxaspiro[3.5]nonane-6-carbaldehyde
SMILESCC1CCC12CCCC(C=O)O2
InChIInChI=1S/C10H16O2/c1-8-4-6-10(8)5-2-3-9(7-11)12-10/h7-9H,2-6H2,1H3
InChIKeyVIXVDQIGZXVVQX-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.92
Rot. Bonds1

About 3-methyl-5-oxaspiro[3.5]nonane-6-carbaldehyde

3-methyl-5-oxaspiro[3.5]nonane-6-carbaldehyde (PubChem CID 130584919) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-methyl-5-oxaspiro[3.5]nonane-6-carbaldehyde.

Molecular Properties

Compound Name3-methyl-5-oxaspiro[3.5]nonane-6-carbaldehyde
PubChem CID130584919
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-methyl-5-oxaspiro[3.5]nonane-6-carbaldehyde
SMILESCC1CCC12CCCC(C=O)O2
InChIInChI=1S/C10H16O2/c1-8-4-6-10(8)5-2-3-9(7-11)12-10/h7-9H,2-6H2,1H3
InChIKeyVIXVDQIGZXVVQX-UHFFFAOYSA-N
XLogP1.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R,7S)-4,7-dimethyl-6-oxaspiro[4.5]decane
CID 102399716
spiro[bicyclo[2.2.2]octane-2,5'-oxolane]-2'-carbaldehyde
CID 130892311
2,9-dimethyl-1-oxaspiro[4.4]nonane-2-carbaldehyde
CID 130584870
3-ethyl-6-oxaspiro[4.5]decane-7-carbaldehyde
CID 130585007
6-ethyl-6-(furan-2-yl)oxane-2-carbaldehyde
CID 130584916
2,2-dimethyl-1,3-dioxane-4-carbaldehyde
CID 10953638
1-oxaspiro[2.5]octane-2-carbaldehyde
CID 11137244
ethane;oxolane-2-carbaldehyde
CID 142055620
8-ethyl-1-oxaspiro[4.5]decane-2-carbaldehyde
CID 130584550
1,8-dioxaspiro[4.5]decane-2-carbaldehyde
CID 130584482
5-butan-2-yl-5-methyloxolane-2-carbaldehyde
CID 130584458
(2R)-oxane-2-carbaldehyde
CID 12648700

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxaspiro[3.5]nonane-6-carbaldehyde?
The IUPAC name of 3-methyl-5-oxaspiro[3.5]nonane-6-carbaldehyde (CID 130584919) is 3-methyl-5-oxaspiro[3.5]nonane-6-carbaldehyde.
What is the SMILES notation for 3-methyl-5-oxaspiro[3.5]nonane-6-carbaldehyde?
The canonical SMILES for 3-methyl-5-oxaspiro[3.5]nonane-6-carbaldehyde is CC1CCC12CCCC(C=O)O2.
What is the InChIKey of 3-methyl-5-oxaspiro[3.5]nonane-6-carbaldehyde?
The InChIKey is VIXVDQIGZXVVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8-4-6-10(8)5-2-3-9(7-11)12-10/h7-9H,2-6H2,1H3.
What are the key properties of 3-methyl-5-oxaspiro[3.5]nonane-6-carbaldehyde?
3-methyl-5-oxaspiro[3.5]nonane-6-carbaldehyde has a molecular weight of 168.24 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxaspiro[3.5]nonane-6-carbaldehyde is sourced from PubChem (CID 130584919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).