1,2-dioxacyclododecane-3-carbaldehyde

C11H20O3 — CID 91802792

IUPAC1,2-dioxacyclododecane-3-carbaldehyde
SMILESO=CC1CCCCCCCCCOO1
InChIInChI=1S/C11H20O3/c12-10-11-8-6-4-2-1-3-5-7-9-13-14-11/h10-11H,1-9H2
InChIKeyKAANLHPECSCWKG-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.64
Rot. Bonds1

About 1,2-dioxacyclododecane-3-carbaldehyde

1,2-dioxacyclododecane-3-carbaldehyde (PubChem CID 91802792) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1,2-dioxacyclododecane-3-carbaldehyde.

Molecular Properties

Compound Name1,2-dioxacyclododecane-3-carbaldehyde
PubChem CID91802792
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name1,2-dioxacyclododecane-3-carbaldehyde
SMILESO=CC1CCCCCCCCCOO1
InChIInChI=1S/C11H20O3/c12-10-11-8-6-4-2-1-3-5-7-9-13-14-11/h10-11H,1-9H2
InChIKeyKAANLHPECSCWKG-UHFFFAOYSA-N
XLogP2.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dioxacyclododecane-3-carbaldehyde?
The IUPAC name of 1,2-dioxacyclododecane-3-carbaldehyde (CID 91802792) is 1,2-dioxacyclododecane-3-carbaldehyde.
What is the SMILES notation for 1,2-dioxacyclododecane-3-carbaldehyde?
The canonical SMILES for 1,2-dioxacyclododecane-3-carbaldehyde is O=CC1CCCCCCCCCOO1.
What is the InChIKey of 1,2-dioxacyclododecane-3-carbaldehyde?
The InChIKey is KAANLHPECSCWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c12-10-11-8-6-4-2-1-3-5-7-9-13-14-11/h10-11H,1-9H2.
What are the key properties of 1,2-dioxacyclododecane-3-carbaldehyde?
1,2-dioxacyclododecane-3-carbaldehyde has a molecular weight of 200.28 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dioxacyclododecane-3-carbaldehyde is sourced from PubChem (CID 91802792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).