(5R)-1,3-dioxaspiro[3.5]nonane-5-carbaldehyde

C8H12O3 — CID 168911046

IUPAC(5R)-1,3-dioxaspiro[3.5]nonane-5-carbaldehyde
SMILESO=C[C@H]1CCCCC12OCO2
InChIInChI=1S/C8H12O3/c9-5-7-3-1-2-4-8(7)10-6-11-8/h5,7H,1-4,6H2/t7-/m1/s1
InChIKeyIPBYCCPYALAILW-SSDOTTSWSA-N
MW156.18 g/mol
LogP1.08
Rot. Bonds1

About (5R)-1,3-dioxaspiro[3.5]nonane-5-carbaldehyde

(5R)-1,3-dioxaspiro[3.5]nonane-5-carbaldehyde (PubChem CID 168911046) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (5R)-1,3-dioxaspiro[3.5]nonane-5-carbaldehyde.

Molecular Properties

Compound Name(5R)-1,3-dioxaspiro[3.5]nonane-5-carbaldehyde
PubChem CID168911046
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(5R)-1,3-dioxaspiro[3.5]nonane-5-carbaldehyde
SMILESO=C[C@H]1CCCCC12OCO2
InChIInChI=1S/C8H12O3/c9-5-7-3-1-2-4-8(7)10-6-11-8/h5,7H,1-4,6H2/t7-/m1/s1
InChIKeyIPBYCCPYALAILW-SSDOTTSWSA-N
XLogP1.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.08
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 (5R)-1,3-dioxaspiro[3.5]nonane-5-carbaldehyde?
The IUPAC name of (5R)-1,3-dioxaspiro[3.5]nonane-5-carbaldehyde (CID 168911046) is (5R)-1,3-dioxaspiro[3.5]nonane-5-carbaldehyde.
What is the SMILES notation for (5R)-1,3-dioxaspiro[3.5]nonane-5-carbaldehyde?
The canonical SMILES for (5R)-1,3-dioxaspiro[3.5]nonane-5-carbaldehyde is O=C[C@H]1CCCCC12OCO2.
What is the InChIKey of (5R)-1,3-dioxaspiro[3.5]nonane-5-carbaldehyde?
The InChIKey is IPBYCCPYALAILW-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12O3/c9-5-7-3-1-2-4-8(7)10-6-11-8/h5,7H,1-4,6H2/t7-/m1/s1.
What are the key properties of (5R)-1,3-dioxaspiro[3.5]nonane-5-carbaldehyde?
(5R)-1,3-dioxaspiro[3.5]nonane-5-carbaldehyde has a molecular weight of 156.18 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1,3-dioxaspiro[3.5]nonane-5-carbaldehyde is sourced from PubChem (CID 168911046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).