5-methoxy-7-methyl-3-methylideneoct-1-ene

C11H20O — CID 12657012

IUPAC5-methoxy-7-methyl-3-methylideneoct-1-ene
SMILESC=CC(=C)CC(CC(C)C)OC
InChIInChI=1S/C11H20O/c1-6-10(4)8-11(12-5)7-9(2)3/h6,9,11H,1,4,7-8H2,2-3,5H3
InChIKeyAYRYNESGTLKBAU-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.18
Rot. Bonds6

About 5-methoxy-7-methyl-3-methylideneoct-1-ene

5-methoxy-7-methyl-3-methylideneoct-1-ene (PubChem CID 12657012) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 5-methoxy-7-methyl-3-methylideneoct-1-ene.

Molecular Properties

Compound Name5-methoxy-7-methyl-3-methylideneoct-1-ene
PubChem CID12657012
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name5-methoxy-7-methyl-3-methylideneoct-1-ene
SMILESC=CC(=C)CC(CC(C)C)OC
InChIInChI=1S/C11H20O/c1-6-10(4)8-11(12-5)7-9(2)3/h6,9,11H,1,4,7-8H2,2-3,5H3
InChIKeyAYRYNESGTLKBAU-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7-methyl-3-methylideneoct-1-ene?
The IUPAC name of 5-methoxy-7-methyl-3-methylideneoct-1-ene (CID 12657012) is 5-methoxy-7-methyl-3-methylideneoct-1-ene.
What is the SMILES notation for 5-methoxy-7-methyl-3-methylideneoct-1-ene?
The canonical SMILES for 5-methoxy-7-methyl-3-methylideneoct-1-ene is C=CC(=C)CC(CC(C)C)OC.
What is the InChIKey of 5-methoxy-7-methyl-3-methylideneoct-1-ene?
The InChIKey is AYRYNESGTLKBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-6-10(4)8-11(12-5)7-9(2)3/h6,9,11H,1,4,7-8H2,2-3,5H3.
What are the key properties of 5-methoxy-7-methyl-3-methylideneoct-1-ene?
5-methoxy-7-methyl-3-methylideneoct-1-ene has a molecular weight of 168.28 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7-methyl-3-methylideneoct-1-ene is sourced from PubChem (CID 12657012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).