2-methoxy-1,6-dioxaspiro[4.4]nonane-3-carbaldehyde

C9H14O4 — CID 15653727

IUPAC2-methoxy-1,6-dioxaspiro[4.4]nonane-3-carbaldehyde
SMILESCOC1OC2(CCCO2)CC1C=O
InChIInChI=1S/C9H14O4/c1-11-8-7(6-10)5-9(13-8)3-2-4-12-9/h6-8H,2-5H2,1H3
InChIKeyAQIOGPPSUUGNPQ-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.70
Rot. Bonds2

About 2-methoxy-1,6-dioxaspiro[4.4]nonane-3-carbaldehyde

2-methoxy-1,6-dioxaspiro[4.4]nonane-3-carbaldehyde (PubChem CID 15653727) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-methoxy-1,6-dioxaspiro[4.4]nonane-3-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-1,6-dioxaspiro[4.4]nonane-3-carbaldehyde
PubChem CID15653727
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name2-methoxy-1,6-dioxaspiro[4.4]nonane-3-carbaldehyde
SMILESCOC1OC2(CCCO2)CC1C=O
InChIInChI=1S/C9H14O4/c1-11-8-7(6-10)5-9(13-8)3-2-4-12-9/h6-8H,2-5H2,1H3
InChIKeyAQIOGPPSUUGNPQ-UHFFFAOYSA-N
XLogP0.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxy-1,6-dioxaspiro[4.4]nonane-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Ethyl-2-methoxyoxolane-3-carbaldehyde
CID 54166474
(2S,3R)-5-butoxy-2-pentyloxolane-3-carbaldehyde
CID 10999202
1-(2-Ethoxyoxolan-3-yl)pentane-1,4-dione
CID 13401245
methyl 3-[(2R,3R)-3-formyl-5-methoxyoxolan-2-yl]propanoate
CID 102010058

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,6-dioxaspiro[4.4]nonane-3-carbaldehyde?
The IUPAC name of 2-methoxy-1,6-dioxaspiro[4.4]nonane-3-carbaldehyde (CID 15653727) is 2-methoxy-1,6-dioxaspiro[4.4]nonane-3-carbaldehyde.
What is the SMILES notation for 2-methoxy-1,6-dioxaspiro[4.4]nonane-3-carbaldehyde?
The canonical SMILES for 2-methoxy-1,6-dioxaspiro[4.4]nonane-3-carbaldehyde is COC1OC2(CCCO2)CC1C=O.
What is the InChIKey of 2-methoxy-1,6-dioxaspiro[4.4]nonane-3-carbaldehyde?
The InChIKey is AQIOGPPSUUGNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-11-8-7(6-10)5-9(13-8)3-2-4-12-9/h6-8H,2-5H2,1H3.
What are the key properties of 2-methoxy-1,6-dioxaspiro[4.4]nonane-3-carbaldehyde?
2-methoxy-1,6-dioxaspiro[4.4]nonane-3-carbaldehyde has a molecular weight of 186.21 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,6-dioxaspiro[4.4]nonane-3-carbaldehyde is sourced from PubChem (CID 15653727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).