(1E)-1-methoxy-7-methyl-3-methylideneocta-1,6-diene

C11H18O — CID 15517012

IUPAC(1E)-1-methoxy-7-methyl-3-methylideneocta-1,6-diene
SMILESC=C(/C=C/OC)CCC=C(C)C
InChIInChI=1S/C11H18O/c1-10(2)6-5-7-11(3)8-9-12-4/h6,8-9H,3,5,7H2,1-2,4H3/b9-8+
InChIKeyPNFWSLWKDQAFLP-CMDGGOBGSA-N
MW166.26 g/mol
LogP3.45
Rot. Bonds5

About (1E)-1-methoxy-7-methyl-3-methylideneocta-1,6-diene

(1E)-1-methoxy-7-methyl-3-methylideneocta-1,6-diene (PubChem CID 15517012) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (1E)-1-methoxy-7-methyl-3-methylideneocta-1,6-diene.

Molecular Properties

Compound Name(1E)-1-methoxy-7-methyl-3-methylideneocta-1,6-diene
PubChem CID15517012
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(1E)-1-methoxy-7-methyl-3-methylideneocta-1,6-diene
SMILESC=C(/C=C/OC)CCC=C(C)C
InChIInChI=1S/C11H18O/c1-10(2)6-5-7-11(3)8-9-12-4/h6,8-9H,3,5,7H2,1-2,4H3/b9-8+
InChIKeyPNFWSLWKDQAFLP-CMDGGOBGSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-Methoxy-3-methylideneocta-1,6-diene
CID 162915241
1,3,5-Cycloheptatriene, 7-(methoxymethylene)-
CID 639399
(1Z,3Z,5Z,7Z,9Z)-1-propoxydodeca-1,3,5,7,9-pentaene
CID 6440369
Kjzcoavqcwrkpz-sfecmwdfsa-
CID 23270194
1-Methoxyoctadien
CID 21873134
Octadienyl ethyl ether
CID 53818685
Methoxyoctadiene
CID 53887681
Dioctadienylether
CID 54395412
Isopropyloctadienyl ether
CID 54569500
(e)-1-Myrcenol
CID 129776036
beta-Farnesol
CID 129830062
(all-E)-1-Methoxy-1,3,5,7,9-dodecapentaene
CID 92033185

Frequently Asked Questions

What is the IUPAC name of (1E)-1-methoxy-7-methyl-3-methylideneocta-1,6-diene?
The IUPAC name of (1E)-1-methoxy-7-methyl-3-methylideneocta-1,6-diene (CID 15517012) is (1E)-1-methoxy-7-methyl-3-methylideneocta-1,6-diene.
What is the SMILES notation for (1E)-1-methoxy-7-methyl-3-methylideneocta-1,6-diene?
The canonical SMILES for (1E)-1-methoxy-7-methyl-3-methylideneocta-1,6-diene is C=C(/C=C/OC)CCC=C(C)C.
What is the InChIKey of (1E)-1-methoxy-7-methyl-3-methylideneocta-1,6-diene?
The InChIKey is PNFWSLWKDQAFLP-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H18O/c1-10(2)6-5-7-11(3)8-9-12-4/h6,8-9H,3,5,7H2,1-2,4H3/b9-8+.
What are the key properties of (1E)-1-methoxy-7-methyl-3-methylideneocta-1,6-diene?
(1E)-1-methoxy-7-methyl-3-methylideneocta-1,6-diene has a molecular weight of 166.26 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-methoxy-7-methyl-3-methylideneocta-1,6-diene is sourced from PubChem (CID 15517012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).