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

C11H16O4 — CID 123853391

IUPAC2,2-dimethyl-5-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde
SMILESC=CCC1(C=O)CC2OC(C)(C)OC2O1
InChIInChI=1S/C11H16O4/c1-4-5-11(7-12)6-8-9(15-11)14-10(2,3)13-8/h4,7-9H,1,5-6H2,2-3H3
InChIKeyNOSGFOZVAFAVNX-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.40
Rot. Bonds3

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

2,2-dimethyl-5-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde (PubChem CID 123853391) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2,2-dimethyl-5-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde.

Molecular Properties

Compound Name2,2-dimethyl-5-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde
PubChem CID123853391
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2,2-dimethyl-5-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde
SMILESC=CCC1(C=O)CC2OC(C)(C)OC2O1
InChIInChI=1S/C11H16O4/c1-4-5-11(7-12)6-8-9(15-11)14-10(2,3)13-8/h4,7-9H,1,5-6H2,2-3H3
InChIKeyNOSGFOZVAFAVNX-UHFFFAOYSA-N
XLogP1.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-5-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde with MolForge

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Related Compounds

[(1S)-1-[(5R,6R)-6-butoxy-5-formyl-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]but-3-enyl] 2,2-dimethylpropanoate
CID 89856828
(3aR,5R,6R,6aR)-6-butoxy-5-[(1S)-1-(methoxymethoxy)but-3-enyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde
CID 89856883
(3aR,5S,6R,6aR)-5-[(1S)-1-(methoxymethoxy)but-3-enyl]-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde
CID 118028646
1-[(3aR,5R,6S,6aR)-5-ethyl-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]but-3-en-1-one
CID 118028684
[(1S)-1-[(3aR,5R,6R,6aR)-6-butoxy-5-formyl-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]but-3-enyl] 2,2-dimethylpropanoate
CID 118030679
(3aR,5S,6S,6aR)-6-hydroxy-5-[(1R)-1-hydroxyprop-2-enyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde
CID 126634376
(2S,4R)-4-(2-hydroxypropan-2-yloxy)-2-prop-2-enyloxolane-2-carbaldehyde
CID 145653091
(3aR,5S,6S,6aR)-6-but-3-enyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carbaldehyde
CID 10242805
(3aR,5S,6R,6aR)-6-methoxy-2,2-dimethyl-6-prop-2-enyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde
CID 10657777
(3aR,5S,6R,6aR)-2,2-dimethyl-6-prop-2-enoxy-6-prop-2-enyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde
CID 10683317
(3aR,5S,6S,6aR)-6-but-3-enyl-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde
CID 10879299
(3aR,5S,6R,6aR)-6-[(Z)-but-2-enyl]-6-methoxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde
CID 11680433

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde?
The IUPAC name of 2,2-dimethyl-5-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde (CID 123853391) is 2,2-dimethyl-5-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde.
What is the SMILES notation for 2,2-dimethyl-5-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde?
The canonical SMILES for 2,2-dimethyl-5-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde is C=CCC1(C=O)CC2OC(C)(C)OC2O1.
What is the InChIKey of 2,2-dimethyl-5-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde?
The InChIKey is NOSGFOZVAFAVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-4-5-11(7-12)6-8-9(15-11)14-10(2,3)13-8/h4,7-9H,1,5-6H2,2-3H3.
What are the key properties of 2,2-dimethyl-5-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde?
2,2-dimethyl-5-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde has a molecular weight of 212.24 g/mol, XLogP of 1.40, 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-prop-2-enyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde is sourced from PubChem (CID 123853391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).