2,2-dimethyl-5-propyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde

C11H18O4 — CID 90974284

IUPAC2,2-dimethyl-5-propyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde
SMILESCCCC1(C=O)CC2OC(C)(C)OC2O1
InChIInChI=1S/C11H18O4/c1-4-5-11(7-12)6-8-9(15-11)14-10(2,3)13-8/h7-9H,4-6H2,1-3H3
InChIKeyOFGGIMVMAFSZPX-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.62
Rot. Bonds3

About 2,2-dimethyl-5-propyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde

2,2-dimethyl-5-propyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde (PubChem CID 90974284) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2,2-dimethyl-5-propyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde.

Molecular Properties

Compound Name2,2-dimethyl-5-propyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde
PubChem CID90974284
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2,2-dimethyl-5-propyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde
SMILESCCCC1(C=O)CC2OC(C)(C)OC2O1
InChIInChI=1S/C11H18O4/c1-4-5-11(7-12)6-8-9(15-11)14-10(2,3)13-8/h7-9H,4-6H2,1-3H3
InChIKeyOFGGIMVMAFSZPX-UHFFFAOYSA-N
XLogP1.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-propyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde?
The IUPAC name of 2,2-dimethyl-5-propyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde (CID 90974284) is 2,2-dimethyl-5-propyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde.
What is the SMILES notation for 2,2-dimethyl-5-propyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde?
The canonical SMILES for 2,2-dimethyl-5-propyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde is CCCC1(C=O)CC2OC(C)(C)OC2O1.
What is the InChIKey of 2,2-dimethyl-5-propyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde?
The InChIKey is OFGGIMVMAFSZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-4-5-11(7-12)6-8-9(15-11)14-10(2,3)13-8/h7-9H,4-6H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-propyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde?
2,2-dimethyl-5-propyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde has a molecular weight of 214.26 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-propyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde is sourced from PubChem (CID 90974284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).