3,5-dimethoxy-2-(methoxymethyl)-4-methylidenehepta-1,6-diene

C12H20O3 — CID 123915006

IUPAC3,5-dimethoxy-2-(methoxymethyl)-4-methylidenehepta-1,6-diene
SMILESC=CC(OC)C(=C)C(OC)C(=C)COC
InChIInChI=1S/C12H20O3/c1-7-11(14-5)10(3)12(15-6)9(2)8-13-4/h7,11-12H,1-3,8H2,4-6H3
InChIKeyHTHKNHXSXIZICY-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.96
Rot. Bonds8

About 3,5-dimethoxy-2-(methoxymethyl)-4-methylidenehepta-1,6-diene

3,5-dimethoxy-2-(methoxymethyl)-4-methylidenehepta-1,6-diene (PubChem CID 123915006) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3,5-dimethoxy-2-(methoxymethyl)-4-methylidenehepta-1,6-diene.

Molecular Properties

Compound Name3,5-dimethoxy-2-(methoxymethyl)-4-methylidenehepta-1,6-diene
PubChem CID123915006
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name3,5-dimethoxy-2-(methoxymethyl)-4-methylidenehepta-1,6-diene
SMILESC=CC(OC)C(=C)C(OC)C(=C)COC
InChIInChI=1S/C12H20O3/c1-7-11(14-5)10(3)12(15-6)9(2)8-13-4/h7,11-12H,1-3,8H2,4-6H3
InChIKeyHTHKNHXSXIZICY-UHFFFAOYSA-N
XLogP1.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-2-(methoxymethyl)-4-methylidenehepta-1,6-diene?
The IUPAC name of 3,5-dimethoxy-2-(methoxymethyl)-4-methylidenehepta-1,6-diene (CID 123915006) is 3,5-dimethoxy-2-(methoxymethyl)-4-methylidenehepta-1,6-diene.
What is the SMILES notation for 3,5-dimethoxy-2-(methoxymethyl)-4-methylidenehepta-1,6-diene?
The canonical SMILES for 3,5-dimethoxy-2-(methoxymethyl)-4-methylidenehepta-1,6-diene is C=CC(OC)C(=C)C(OC)C(=C)COC.
What is the InChIKey of 3,5-dimethoxy-2-(methoxymethyl)-4-methylidenehepta-1,6-diene?
The InChIKey is HTHKNHXSXIZICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-7-11(14-5)10(3)12(15-6)9(2)8-13-4/h7,11-12H,1-3,8H2,4-6H3.
What are the key properties of 3,5-dimethoxy-2-(methoxymethyl)-4-methylidenehepta-1,6-diene?
3,5-dimethoxy-2-(methoxymethyl)-4-methylidenehepta-1,6-diene has a molecular weight of 212.29 g/mol, XLogP of 1.96, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-2-(methoxymethyl)-4-methylidenehepta-1,6-diene is sourced from PubChem (CID 123915006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).