(Z)-8-methoxy-3,7-dimethyloct-6-enal

C11H20O2 — CID 86734392

IUPAC(Z)-8-methoxy-3,7-dimethyloct-6-enal
SMILESCOC/C(C)=C\CCC(C)CC=O
InChIInChI=1S/C11H20O2/c1-10(7-8-12)5-4-6-11(2)9-13-3/h6,8,10H,4-5,7,9H2,1-3H3/b11-6-
InChIKeyXFQGFZNLVDBYKY-WDZFZDKYSA-N
MW184.28 g/mol
LogP2.58
Rot. Bonds7

About (Z)-8-methoxy-3,7-dimethyloct-6-enal

(Z)-8-methoxy-3,7-dimethyloct-6-enal (PubChem CID 86734392) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (Z)-8-methoxy-3,7-dimethyloct-6-enal.

Molecular Properties

Compound Name(Z)-8-methoxy-3,7-dimethyloct-6-enal
PubChem CID86734392
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(Z)-8-methoxy-3,7-dimethyloct-6-enal
SMILESCOC/C(C)=C\CCC(C)CC=O
InChIInChI=1S/C11H20O2/c1-10(7-8-12)5-4-6-11(2)9-13-3/h6,8,10H,4-5,7,9H2,1-3H3/b11-6-
InChIKeyXFQGFZNLVDBYKY-WDZFZDKYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-8-methoxy-3,7-dimethyloct-6-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

Citronellal
CID 7794
6-Octenal, 3,7-dimethyl-, (3R)-
CID 75427
(S)-(-)-Citronellal
CID 443157
6,10-Dodecadienal, 3,7,11-trimethyl-, (6Z)-
CID 44147580
(3S,6E)-3,7,11-Trimethyl-6,10-dodecadienal
CID 44256573
6,10-Dodecadienal, 3,7,11-trimethyl-, (6E)-
CID 6452457
2,3-Dihydrofarnesal
CID 53427323
Hydroxyl citronellal
CID 129702535
3,7-Dimethyloct-6-enal;hydrate
CID 23616467
2,7-Dimethyloct-6-enal
CID 10103362
3,7-Dimethyl-6-nonenal
CID 543623
e-8-Hydroxy-3,7-dimethyloct-6-enal
CID 20402268

Frequently Asked Questions

What is the IUPAC name of (Z)-8-methoxy-3,7-dimethyloct-6-enal?
The IUPAC name of (Z)-8-methoxy-3,7-dimethyloct-6-enal (CID 86734392) is (Z)-8-methoxy-3,7-dimethyloct-6-enal.
What is the SMILES notation for (Z)-8-methoxy-3,7-dimethyloct-6-enal?
The canonical SMILES for (Z)-8-methoxy-3,7-dimethyloct-6-enal is COC/C(C)=C\CCC(C)CC=O.
What is the InChIKey of (Z)-8-methoxy-3,7-dimethyloct-6-enal?
The InChIKey is XFQGFZNLVDBYKY-WDZFZDKYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(7-8-12)5-4-6-11(2)9-13-3/h6,8,10H,4-5,7,9H2,1-3H3/b11-6-.
What are the key properties of (Z)-8-methoxy-3,7-dimethyloct-6-enal?
(Z)-8-methoxy-3,7-dimethyloct-6-enal has a molecular weight of 184.28 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8-methoxy-3,7-dimethyloct-6-enal is sourced from PubChem (CID 86734392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).