3-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]hex-5-enal

C15H24O5 — CID 123809615

IUPAC3-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]hex-5-enal
SMILESC=CCC(CC=O)CC1OC(OC)C2OC(C)(C)OC12
InChIInChI=1S/C15H24O5/c1-5-6-10(7-8-16)9-11-12-13(14(17-4)18-11)20-15(2,3)19-12/h5,8,10-14H,1,6-7,9H2,2-4H3
InChIKeyIMNZCQQSHUPCCI-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.05
Rot. Bonds7

About 3-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]hex-5-enal

3-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]hex-5-enal (PubChem CID 123809615) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is 3-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]hex-5-enal.

Molecular Properties

Compound Name3-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]hex-5-enal
PubChem CID123809615
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name3-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]hex-5-enal
SMILESC=CCC(CC=O)CC1OC(OC)C2OC(C)(C)OC12
InChIInChI=1S/C15H24O5/c1-5-6-10(7-8-16)9-11-12-13(14(17-4)18-11)20-15(2,3)19-12/h5,8,10-14H,1,6-7,9H2,2-4H3
InChIKeyIMNZCQQSHUPCCI-UHFFFAOYSA-N
XLogP2.05
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]hex-5-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[(4R,6R)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]pent-4-enal
CID 89534631
(2S)-2-[[(3aS,4R,6R)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]pent-4-enoic acid
CID 117634891
(2S)-2-[[(4R,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]pent-4-enal
CID 117634919
(2S)-2-[[(3aS,4R,6R)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]pent-4-enal
CID 117637071
(2S)-2-[[(4R,6R)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]pent-4-enoic acid
CID 117665444
(3S)-3-[[(3aS,4R,6R)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]hex-5-enal
CID 117665446
(3S)-3-[[(4R,6R)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]hex-5-enal
CID 129069810
methyl (2S,5S)-5-[[(3aS,4R,6R)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-2-methylnon-8-enoate
CID 173553987
(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
3-[(3aR,5R,6R,6aR)-5-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]propanal
CID 10443687
(2S)-2-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]pent-4-enoic acid
CID 10541191
(1S,2R,6R,8R,9S)-4,4-dimethyl-9-prop-2-enyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecan-11-one
CID 102496892

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]hex-5-enal?
The IUPAC name of 3-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]hex-5-enal (CID 123809615) is 3-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]hex-5-enal.
What is the SMILES notation for 3-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]hex-5-enal?
The canonical SMILES for 3-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]hex-5-enal is C=CCC(CC=O)CC1OC(OC)C2OC(C)(C)OC12.
What is the InChIKey of 3-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]hex-5-enal?
The InChIKey is IMNZCQQSHUPCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5/c1-5-6-10(7-8-16)9-11-12-13(14(17-4)18-11)20-15(2,3)19-12/h5,8,10-14H,1,6-7,9H2,2-4H3.
What are the key properties of 3-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]hex-5-enal?
3-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]hex-5-enal has a molecular weight of 284.35 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]hex-5-enal is sourced from PubChem (CID 123809615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).