2-(5-oxaspiro[3.5]nonan-8-yl)acetaldehyde

C10H16O2 — CID 79920668

IUPAC2-(5-oxaspiro[3.5]nonan-8-yl)acetaldehyde
SMILESO=CCC1CCOC2(CCC2)C1
InChIInChI=1S/C10H16O2/c11-6-2-9-3-7-12-10(8-9)4-1-5-10/h6,9H,1-5,7-8H2
InChIKeyOICWXNPVCFYPDD-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.92
Rot. Bonds2

About 2-(5-oxaspiro[3.5]nonan-8-yl)acetaldehyde

2-(5-oxaspiro[3.5]nonan-8-yl)acetaldehyde (PubChem CID 79920668) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(5-oxaspiro[3.5]nonan-8-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-oxaspiro[3.5]nonan-8-yl)acetaldehyde
PubChem CID79920668
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-(5-oxaspiro[3.5]nonan-8-yl)acetaldehyde
SMILESO=CCC1CCOC2(CCC2)C1
InChIInChI=1S/C10H16O2/c11-6-2-9-3-7-12-10(8-9)4-1-5-10/h6,9H,1-5,7-8H2
InChIKeyOICWXNPVCFYPDD-UHFFFAOYSA-N
XLogP1.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

2-(6-oxaspiro[4.5]decan-9-yl)acetaldehyde
CID 79920475
1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one
CID 79894719
9-(3-bromopropyl)-6-oxaspiro[4.5]decane
CID 79923550
8-(3-chloropropyl)-5-oxaspiro[3.5]nonane
CID 79923660
3,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-2-one
CID 79894030
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79894570
N-(5-oxaspiro[3.5]nonan-8-ylmethyl)propan-2-amine
CID 79914114
N-(6-oxaspiro[4.5]decan-9-ylmethyl)ethanamine
CID 79914759
4-prop-2-enyl-1-oxa-9-thiaspiro[5.5]undecane
CID 115410369
4-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79923955
N-ethyl-2-methyl-3-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 79923385
1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79920851

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxaspiro[3.5]nonan-8-yl)acetaldehyde?
The IUPAC name of 2-(5-oxaspiro[3.5]nonan-8-yl)acetaldehyde (CID 79920668) is 2-(5-oxaspiro[3.5]nonan-8-yl)acetaldehyde.
What is the SMILES notation for 2-(5-oxaspiro[3.5]nonan-8-yl)acetaldehyde?
The canonical SMILES for 2-(5-oxaspiro[3.5]nonan-8-yl)acetaldehyde is O=CCC1CCOC2(CCC2)C1.
What is the InChIKey of 2-(5-oxaspiro[3.5]nonan-8-yl)acetaldehyde?
The InChIKey is OICWXNPVCFYPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c11-6-2-9-3-7-12-10(8-9)4-1-5-10/h6,9H,1-5,7-8H2.
What are the key properties of 2-(5-oxaspiro[3.5]nonan-8-yl)acetaldehyde?
2-(5-oxaspiro[3.5]nonan-8-yl)acetaldehyde has a molecular weight of 168.24 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxaspiro[3.5]nonan-8-yl)acetaldehyde is sourced from PubChem (CID 79920668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).