(E)-1-methoxy-3-methylideneoct-1-ene

C10H18O — CID 13294385

IUPAC(E)-1-methoxy-3-methylideneoct-1-ene
SMILESC=C(/C=C/OC)CCCCC
InChIInChI=1S/C10H18O/c1-4-5-6-7-10(2)8-9-11-3/h8-9H,2,4-7H2,1,3H3/b9-8+
InChIKeyBKJDLEHEODDNFX-CMDGGOBGSA-N
MW154.25 g/mol
LogP3.28
Rot. Bonds6

About (E)-1-methoxy-3-methylideneoct-1-ene

(E)-1-methoxy-3-methylideneoct-1-ene (PubChem CID 13294385) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (E)-1-methoxy-3-methylideneoct-1-ene.

Molecular Properties

Compound Name(E)-1-methoxy-3-methylideneoct-1-ene
PubChem CID13294385
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(E)-1-methoxy-3-methylideneoct-1-ene
SMILESC=C(/C=C/OC)CCCCC
InChIInChI=1S/C10H18O/c1-4-5-6-7-10(2)8-9-11-3/h8-9H,2,4-7H2,1,3H3/b9-8+
InChIKeyBKJDLEHEODDNFX-CMDGGOBGSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-methoxy-3-methylideneoct-1-ene?
The IUPAC name of (E)-1-methoxy-3-methylideneoct-1-ene (CID 13294385) is (E)-1-methoxy-3-methylideneoct-1-ene.
What is the SMILES notation for (E)-1-methoxy-3-methylideneoct-1-ene?
The canonical SMILES for (E)-1-methoxy-3-methylideneoct-1-ene is C=C(/C=C/OC)CCCCC.
What is the InChIKey of (E)-1-methoxy-3-methylideneoct-1-ene?
The InChIKey is BKJDLEHEODDNFX-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H18O/c1-4-5-6-7-10(2)8-9-11-3/h8-9H,2,4-7H2,1,3H3/b9-8+.
What are the key properties of (E)-1-methoxy-3-methylideneoct-1-ene?
(E)-1-methoxy-3-methylideneoct-1-ene has a molecular weight of 154.25 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxy-3-methylideneoct-1-ene is sourced from PubChem (CID 13294385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).