2-(methoxymethyl)-3,7-dimethylocta-1,6-diene

C12H22O — CID 58798490

IUPAC2-(methoxymethyl)-3,7-dimethylocta-1,6-diene
SMILESC=C(COC)C(C)CCC=C(C)C
InChIInChI=1S/C12H22O/c1-10(2)7-6-8-11(3)12(4)9-13-5/h7,11H,4,6,8-9H2,1-3,5H3
InChIKeyFWSRKGYSCGDJJK-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.57
Rot. Bonds6

About 2-(methoxymethyl)-3,7-dimethylocta-1,6-diene

2-(methoxymethyl)-3,7-dimethylocta-1,6-diene (PubChem CID 58798490) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-(methoxymethyl)-3,7-dimethylocta-1,6-diene.

Molecular Properties

Compound Name2-(methoxymethyl)-3,7-dimethylocta-1,6-diene
PubChem CID58798490
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-(methoxymethyl)-3,7-dimethylocta-1,6-diene
SMILESC=C(COC)C(C)CCC=C(C)C
InChIInChI=1S/C12H22O/c1-10(2)7-6-8-11(3)12(4)9-13-5/h7,11H,4,6,8-9H2,1-3,5H3
InChIKeyFWSRKGYSCGDJJK-UHFFFAOYSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.57
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 2-(methoxymethyl)-3,7-dimethylocta-1,6-diene?
The IUPAC name of 2-(methoxymethyl)-3,7-dimethylocta-1,6-diene (CID 58798490) is 2-(methoxymethyl)-3,7-dimethylocta-1,6-diene.
What is the SMILES notation for 2-(methoxymethyl)-3,7-dimethylocta-1,6-diene?
The canonical SMILES for 2-(methoxymethyl)-3,7-dimethylocta-1,6-diene is C=C(COC)C(C)CCC=C(C)C.
What is the InChIKey of 2-(methoxymethyl)-3,7-dimethylocta-1,6-diene?
The InChIKey is FWSRKGYSCGDJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-10(2)7-6-8-11(3)12(4)9-13-5/h7,11H,4,6,8-9H2,1-3,5H3.
What are the key properties of 2-(methoxymethyl)-3,7-dimethylocta-1,6-diene?
2-(methoxymethyl)-3,7-dimethylocta-1,6-diene has a molecular weight of 182.31 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3,7-dimethylocta-1,6-diene is sourced from PubChem (CID 58798490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).