(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'}

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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).