7-methoxy-3-methylideneocta-1,6-diene

C10H16O — CID 162915241

IUPAC7-methoxy-3-methylideneocta-1,6-diene
SMILESC=CC(=C)CCC=C(C)OC
InChIInChI=1S/C10H16O/c1-5-9(2)7-6-8-10(3)11-4/h5,8H,1-2,6-7H2,3-4H3
InChIKeyFUNBHQNFZWDEMG-UHFFFAOYSA-N
MW152.24 g/mol
LogP3.06
Rot. Bonds5

About 7-methoxy-3-methylideneocta-1,6-diene

7-methoxy-3-methylideneocta-1,6-diene (PubChem CID 162915241) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 7-methoxy-3-methylideneocta-1,6-diene.

Molecular Properties

Compound Name7-methoxy-3-methylideneocta-1,6-diene
PubChem CID162915241
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name7-methoxy-3-methylideneocta-1,6-diene
SMILESC=CC(=C)CCC=C(C)OC
InChIInChI=1S/C10H16O/c1-5-9(2)7-6-8-10(3)11-4/h5,8H,1-2,6-7H2,3-4H3
InChIKeyFUNBHQNFZWDEMG-UHFFFAOYSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Methoxy-2-methylcyclohexa-1,4-diene
CID 3017955
(Z)-2-methoxyoct-2-ene
CID 21160202
(1E)-1-methoxy-7-methyl-3-methylideneocta-1,6-diene
CID 15517012
1-Methoxyoctadien
CID 21873134
Octadienyl ethyl ether
CID 53818685
Methoxyoctadiene
CID 53887681
Isopropyloctadienyl ether
CID 54569500
Methoxydimethyloctadiene
CID 87220842
2-Methoxy-6-methyl-2,5-octadiene
CID 141700425
2-Methoxy-6-methyl-1,5-octadiene
CID 141700426
(3Z,5E)-2-fluoro-6-methoxy-5-propan-2-ylhepta-1,3,5-triene
CID 144804642
(2E,4Z,6E)-4-ethenyl-6-ethyl-1,1,1-trifluoro-7-methoxyocta-2,4,6-triene
CID 155467976

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-methylideneocta-1,6-diene?
The IUPAC name of 7-methoxy-3-methylideneocta-1,6-diene (CID 162915241) is 7-methoxy-3-methylideneocta-1,6-diene.
What is the SMILES notation for 7-methoxy-3-methylideneocta-1,6-diene?
The canonical SMILES for 7-methoxy-3-methylideneocta-1,6-diene is C=CC(=C)CCC=C(C)OC.
What is the InChIKey of 7-methoxy-3-methylideneocta-1,6-diene?
The InChIKey is FUNBHQNFZWDEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-5-9(2)7-6-8-10(3)11-4/h5,8H,1-2,6-7H2,3-4H3.
What are the key properties of 7-methoxy-3-methylideneocta-1,6-diene?
7-methoxy-3-methylideneocta-1,6-diene has a molecular weight of 152.24 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methylideneocta-1,6-diene is sourced from PubChem (CID 162915241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).