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

C9H12O3 — CID 10329698

IUPAC2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde
SMILESCC1(C)OC2CC=C(C=O)C2O1
InChIInChI=1S/C9H12O3/c1-9(2)11-7-4-3-6(5-10)8(7)12-9/h3,5,7-8H,4H2,1-2H3
InChIKeyVXRHHFFOYIXAPP-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.04
Rot. Bonds1

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

2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde (PubChem CID 10329698) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde.

Molecular Properties

Compound Name2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde
PubChem CID10329698
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde
SMILESCC1(C)OC2CC=C(C=O)C2O1
InChIInChI=1S/C9H12O3/c1-9(2)11-7-4-3-6(5-10)8(7)12-9/h3,5,7-8H,4H2,1-2H3
InChIKeyVXRHHFFOYIXAPP-UHFFFAOYSA-N
XLogP1.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,5S)-2-but-3-enyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde
CID 10773769
(3aS,6aS)-2,2,6-trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
CID 11147943
(3aR,6aR)-2,2,5-trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
CID 11252227
(3aS,6aS)-2,2,5-trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
CID 11480669
1-(2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)ethanone
CID 11819684
(3aR,6aS)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde
CID 12179764
(3aR,6aR)-2,2,6-trimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
CID 13700994
6-Ethyl-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
CID 13700995
2-methoxy-2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde
CID 19000571
3-methyl-3,4a,5,7a-tetrahydro-2H-cyclopenta[b][1,4]dioxine-7-carbaldehyde
CID 19000694
2-methyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde
CID 19000707
(3aR,6aR)-6-ethyl-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
CID 59753787

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde?
The IUPAC name of 2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde (CID 10329698) is 2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde.
What is the SMILES notation for 2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde?
The canonical SMILES for 2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde is CC1(C)OC2CC=C(C=O)C2O1.
What is the InChIKey of 2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde?
The InChIKey is VXRHHFFOYIXAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-9(2)11-7-4-3-6(5-10)8(7)12-9/h3,5,7-8H,4H2,1-2H3.
What are the key properties of 2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde?
2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde has a molecular weight of 168.19 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde is sourced from PubChem (CID 10329698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).