8-methoxyspiro[4.5]decane-8-carbaldehyde

C12H20O2 — CID 130656020

IUPAC8-methoxyspiro[4.5]decane-8-carbaldehyde
SMILESCOC1(C=O)CCC2(CCCC2)CC1
InChIInChI=1S/C12H20O2/c1-14-12(10-13)8-6-11(7-9-12)4-2-3-5-11/h10H,2-9H2,1H3
InChIKeyLSAIIJFQBJGVOE-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.70
Rot. Bonds2

About 8-methoxyspiro[4.5]decane-8-carbaldehyde

8-methoxyspiro[4.5]decane-8-carbaldehyde (PubChem CID 130656020) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 8-methoxyspiro[4.5]decane-8-carbaldehyde.

Molecular Properties

Compound Name8-methoxyspiro[4.5]decane-8-carbaldehyde
PubChem CID130656020
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name8-methoxyspiro[4.5]decane-8-carbaldehyde
SMILESCOC1(C=O)CCC2(CCCC2)CC1
InChIInChI=1S/C12H20O2/c1-14-12(10-13)8-6-11(7-9-12)4-2-3-5-11/h10H,2-9H2,1H3
InChIKeyLSAIIJFQBJGVOE-UHFFFAOYSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-methoxyspiro[4.5]decane-8-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

8-ethoxyspiro[4.5]decane-8-carbaldehyde
CID 130679880
4-methoxy-1,1-dioxothiepane-4-carbaldehyde
CID 105458997
spiro[2.4]heptane;spiro[3.4]octane
CID 145351897
dispiro[2.2.46.23]dodecane
CID 123747481
spiro[2.4]heptane
CID 12657448
1-ethyl-4-methoxyazepane-4-carbaldehyde
CID 105441684
3-methoxy-1-methylpiperidine-3-carbaldehyde
CID 105430672
spiro[2.7]decane
CID 12657449
1,1-dimethoxycyclobutane;methyl formate
CID 157274522
spiro[4.4]nonane
CID 90780660
1-methoxy-3,5-dimethylcyclohexane-1-carbaldehyde
CID 126997189
1-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carbaldehyde
CID 115016765

Frequently Asked Questions

What is the IUPAC name of 8-methoxyspiro[4.5]decane-8-carbaldehyde?
The IUPAC name of 8-methoxyspiro[4.5]decane-8-carbaldehyde (CID 130656020) is 8-methoxyspiro[4.5]decane-8-carbaldehyde.
What is the SMILES notation for 8-methoxyspiro[4.5]decane-8-carbaldehyde?
The canonical SMILES for 8-methoxyspiro[4.5]decane-8-carbaldehyde is COC1(C=O)CCC2(CCCC2)CC1.
What is the InChIKey of 8-methoxyspiro[4.5]decane-8-carbaldehyde?
The InChIKey is LSAIIJFQBJGVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-14-12(10-13)8-6-11(7-9-12)4-2-3-5-11/h10H,2-9H2,1H3.
What are the key properties of 8-methoxyspiro[4.5]decane-8-carbaldehyde?
8-methoxyspiro[4.5]decane-8-carbaldehyde has a molecular weight of 196.29 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxyspiro[4.5]decane-8-carbaldehyde is sourced from PubChem (CID 130656020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).