2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde

C8H10O3 — CID 19000707

IUPAC2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde
SMILESCC1OC2CC=C(C=O)C2O1
InChIInChI=1S/C8H10O3/c1-5-10-7-3-2-6(4-9)8(7)11-5/h2,4-5,7-8H,3H2,1H3
InChIKeyVXHMXNFUWVWQMZ-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.65
Rot. Bonds1

About 2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde

2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde (PubChem CID 19000707) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde.

Molecular Properties

Compound Name2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde
PubChem CID19000707
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde
SMILESCC1OC2CC=C(C=O)C2O1
InChIInChI=1S/C8H10O3/c1-5-10-7-3-2-6(4-9)8(7)11-5/h2,4-5,7-8H,3H2,1H3
InChIKeyVXHMXNFUWVWQMZ-UHFFFAOYSA-N
XLogP0.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.65
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-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde?
The IUPAC name of 2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde (CID 19000707) is 2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde.
What is the SMILES notation for 2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde?
The canonical SMILES for 2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde is CC1OC2CC=C(C=O)C2O1.
What is the InChIKey of 2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde?
The InChIKey is VXHMXNFUWVWQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-5-10-7-3-2-6(4-9)8(7)11-5/h2,4-5,7-8H,3H2,1H3.
What are the key properties of 2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde?
2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde has a molecular weight of 154.16 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde is sourced from PubChem (CID 19000707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).