3-(methoxymethyl)-2,6-dimethylhepta-1,5-diene

C11H20O — CID 12663425

IUPAC3-(methoxymethyl)-2,6-dimethylhepta-1,5-diene
SMILESC=C(C)C(CC=C(C)C)COC
InChIInChI=1S/C11H20O/c1-9(2)6-7-11(8-12-5)10(3)4/h6,11H,3,7-8H2,1-2,4-5H3
InChIKeyOEVGHYRSZABMFG-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.18
Rot. Bonds5

About 3-(methoxymethyl)-2,6-dimethylhepta-1,5-diene

3-(methoxymethyl)-2,6-dimethylhepta-1,5-diene (PubChem CID 12663425) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-(methoxymethyl)-2,6-dimethylhepta-1,5-diene.

Molecular Properties

Compound Name3-(methoxymethyl)-2,6-dimethylhepta-1,5-diene
PubChem CID12663425
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-(methoxymethyl)-2,6-dimethylhepta-1,5-diene
SMILESC=C(C)C(CC=C(C)C)COC
InChIInChI=1S/C11H20O/c1-9(2)6-7-11(8-12-5)10(3)4/h6,11H,3,7-8H2,1-2,4-5H3
InChIKeyOEVGHYRSZABMFG-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2,6-dimethylhepta-1,5-diene?
The IUPAC name of 3-(methoxymethyl)-2,6-dimethylhepta-1,5-diene (CID 12663425) is 3-(methoxymethyl)-2,6-dimethylhepta-1,5-diene.
What is the SMILES notation for 3-(methoxymethyl)-2,6-dimethylhepta-1,5-diene?
The canonical SMILES for 3-(methoxymethyl)-2,6-dimethylhepta-1,5-diene is C=C(C)C(CC=C(C)C)COC.
What is the InChIKey of 3-(methoxymethyl)-2,6-dimethylhepta-1,5-diene?
The InChIKey is OEVGHYRSZABMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)6-7-11(8-12-5)10(3)4/h6,11H,3,7-8H2,1-2,4-5H3.
What are the key properties of 3-(methoxymethyl)-2,6-dimethylhepta-1,5-diene?
3-(methoxymethyl)-2,6-dimethylhepta-1,5-diene has a molecular weight of 168.28 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2,6-dimethylhepta-1,5-diene is sourced from PubChem (CID 12663425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).