2-(6-oxaspiro[4.5]decan-9-yl)acetaldehyde

C11H18O2 — CID 79920475

IUPAC2-(6-oxaspiro[4.5]decan-9-yl)acetaldehyde
SMILESO=CCC1CCOC2(CCCC2)C1
InChIInChI=1S/C11H18O2/c12-7-3-10-4-8-13-11(9-10)5-1-2-6-11/h7,10H,1-6,8-9H2
InChIKeyRRDXDRZEWVRCLL-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.31
Rot. Bonds2

About 2-(6-oxaspiro[4.5]decan-9-yl)acetaldehyde

2-(6-oxaspiro[4.5]decan-9-yl)acetaldehyde (PubChem CID 79920475) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-(6-oxaspiro[4.5]decan-9-yl)acetaldehyde.

Molecular Properties

Compound Name2-(6-oxaspiro[4.5]decan-9-yl)acetaldehyde
PubChem CID79920475
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-(6-oxaspiro[4.5]decan-9-yl)acetaldehyde
SMILESO=CCC1CCOC2(CCCC2)C1
InChIInChI=1S/C11H18O2/c12-7-3-10-4-8-13-11(9-10)5-1-2-6-11/h7,10H,1-6,8-9H2
InChIKeyRRDXDRZEWVRCLL-UHFFFAOYSA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.31
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-(5-oxaspiro[3.5]nonan-8-yl)acetaldehyde
CID 79920668
1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one
CID 79894719
9-(3-bromopropyl)-6-oxaspiro[4.5]decane
CID 79923550
N-(6-oxaspiro[4.5]decan-9-ylmethyl)ethanamine
CID 79914759
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79894570
4-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79923955
8-(3-chloropropyl)-5-oxaspiro[3.5]nonane
CID 79923660
1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79920851
3,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-2-one
CID 79894030
2-methyl-N-(6-oxaspiro[4.5]decan-9-ylmethyl)propan-1-amine
CID 79914861
2-methyl-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 79924373
2-methyl-N-(2-methylpropyl)-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 79923005

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxaspiro[4.5]decan-9-yl)acetaldehyde?
The IUPAC name of 2-(6-oxaspiro[4.5]decan-9-yl)acetaldehyde (CID 79920475) is 2-(6-oxaspiro[4.5]decan-9-yl)acetaldehyde.
What is the SMILES notation for 2-(6-oxaspiro[4.5]decan-9-yl)acetaldehyde?
The canonical SMILES for 2-(6-oxaspiro[4.5]decan-9-yl)acetaldehyde is O=CCC1CCOC2(CCCC2)C1.
What is the InChIKey of 2-(6-oxaspiro[4.5]decan-9-yl)acetaldehyde?
The InChIKey is RRDXDRZEWVRCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c12-7-3-10-4-8-13-11(9-10)5-1-2-6-11/h7,10H,1-6,8-9H2.
What are the key properties of 2-(6-oxaspiro[4.5]decan-9-yl)acetaldehyde?
2-(6-oxaspiro[4.5]decan-9-yl)acetaldehyde has a molecular weight of 182.26 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxaspiro[4.5]decan-9-yl)acetaldehyde is sourced from PubChem (CID 79920475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).