2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]acetaldehyde

C10H16O3 — CID 134859003

IUPAC2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]acetaldehyde
SMILESO=CC[C@@H]1COC2(CCCCC2)O1
InChIInChI=1S/C10H16O3/c11-7-4-9-8-12-10(13-9)5-2-1-3-6-10/h7,9H,1-6,8H2/t9-/m1/s1
InChIKeyAADCSVJAYRPPBE-SECBINFHSA-N
MW184.23 g/mol
LogP1.65
Rot. Bonds2

About 2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]acetaldehyde

2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]acetaldehyde (PubChem CID 134859003) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]acetaldehyde
PubChem CID134859003
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]acetaldehyde
SMILESO=CC[C@@H]1COC2(CCCCC2)O1
InChIInChI=1S/C10H16O3/c11-7-4-9-8-12-10(13-9)5-2-1-3-6-10/h7,9H,1-6,8H2/t9-/m1/s1
InChIKeyAADCSVJAYRPPBE-SECBINFHSA-N
XLogP1.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]acetaldehyde?
The IUPAC name of 2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]acetaldehyde (CID 134859003) is 2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]acetaldehyde.
What is the SMILES notation for 2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]acetaldehyde?
The canonical SMILES for 2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]acetaldehyde is O=CC[C@@H]1COC2(CCCCC2)O1.
What is the InChIKey of 2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]acetaldehyde?
The InChIKey is AADCSVJAYRPPBE-SECBINFHSA-N. The full InChI is InChI=1S/C10H16O3/c11-7-4-9-8-12-10(13-9)5-2-1-3-6-10/h7,9H,1-6,8H2/t9-/m1/s1.
What are the key properties of 2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]acetaldehyde?
2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]acetaldehyde has a molecular weight of 184.23 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]acetaldehyde is sourced from PubChem (CID 134859003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).