(3R)-1,4-dioxaspiro[4.5]decane-3-carbaldehyde

C9H14O3 — CID 10855919

IUPAC(3R)-1,4-dioxaspiro[4.5]decane-3-carbaldehyde
SMILESO=C[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C9H14O3/c10-6-8-7-11-9(12-8)4-2-1-3-5-9/h6,8H,1-5,7H2/t8-/m0/s1
InChIKeyFFGZPNNLXMQFMO-QMMMGPOBSA-N
MW170.21 g/mol
LogP1.26
Rot. Bonds1

About (3R)-1,4-dioxaspiro[4.5]decane-3-carbaldehyde

(3R)-1,4-dioxaspiro[4.5]decane-3-carbaldehyde (PubChem CID 10855919) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (3R)-1,4-dioxaspiro[4.5]decane-3-carbaldehyde.

Molecular Properties

Compound Name(3R)-1,4-dioxaspiro[4.5]decane-3-carbaldehyde
PubChem CID10855919
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(3R)-1,4-dioxaspiro[4.5]decane-3-carbaldehyde
SMILESO=C[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C9H14O3/c10-6-8-7-11-9(12-8)4-2-1-3-5-9/h6,8H,1-5,7H2/t8-/m0/s1
InChIKeyFFGZPNNLXMQFMO-QMMMGPOBSA-N
XLogP1.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.26
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 (3R)-1,4-dioxaspiro[4.5]decane-3-carbaldehyde?
The IUPAC name of (3R)-1,4-dioxaspiro[4.5]decane-3-carbaldehyde (CID 10855919) is (3R)-1,4-dioxaspiro[4.5]decane-3-carbaldehyde.
What is the SMILES notation for (3R)-1,4-dioxaspiro[4.5]decane-3-carbaldehyde?
The canonical SMILES for (3R)-1,4-dioxaspiro[4.5]decane-3-carbaldehyde is O=C[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of (3R)-1,4-dioxaspiro[4.5]decane-3-carbaldehyde?
The InChIKey is FFGZPNNLXMQFMO-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14O3/c10-6-8-7-11-9(12-8)4-2-1-3-5-9/h6,8H,1-5,7H2/t8-/m0/s1.
What are the key properties of (3R)-1,4-dioxaspiro[4.5]decane-3-carbaldehyde?
(3R)-1,4-dioxaspiro[4.5]decane-3-carbaldehyde has a molecular weight of 170.21 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,4-dioxaspiro[4.5]decane-3-carbaldehyde is sourced from PubChem (CID 10855919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).