4,4-bis(methoxymethyl)hepta-1,6-diene

C11H20O2 — CID 11074076

IUPAC4,4-bis(methoxymethyl)hepta-1,6-diene
SMILESC=CCC(CC=C)(COC)COC
InChIInChI=1S/C11H20O2/c1-5-7-11(8-6-2,9-12-3)10-13-4/h5-6H,1-2,7-10H2,3-4H3
InChIKeyUQXVOOKVENLTCN-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.42
Rot. Bonds8

About 4,4-bis(methoxymethyl)hepta-1,6-diene

4,4-bis(methoxymethyl)hepta-1,6-diene (PubChem CID 11074076) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4,4-bis(methoxymethyl)hepta-1,6-diene.

Molecular Properties

Compound Name4,4-bis(methoxymethyl)hepta-1,6-diene
PubChem CID11074076
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4,4-bis(methoxymethyl)hepta-1,6-diene
SMILESC=CCC(CC=C)(COC)COC
InChIInChI=1S/C11H20O2/c1-5-7-11(8-6-2,9-12-3)10-13-4/h5-6H,1-2,7-10H2,3-4H3
InChIKeyUQXVOOKVENLTCN-UHFFFAOYSA-N
XLogP2.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4,4-bis(methoxymethyl)hepta-1,6-diene?
The IUPAC name of 4,4-bis(methoxymethyl)hepta-1,6-diene (CID 11074076) is 4,4-bis(methoxymethyl)hepta-1,6-diene.
What is the SMILES notation for 4,4-bis(methoxymethyl)hepta-1,6-diene?
The canonical SMILES for 4,4-bis(methoxymethyl)hepta-1,6-diene is C=CCC(CC=C)(COC)COC.
What is the InChIKey of 4,4-bis(methoxymethyl)hepta-1,6-diene?
The InChIKey is UQXVOOKVENLTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-7-11(8-6-2,9-12-3)10-13-4/h5-6H,1-2,7-10H2,3-4H3.
What are the key properties of 4,4-bis(methoxymethyl)hepta-1,6-diene?
4,4-bis(methoxymethyl)hepta-1,6-diene has a molecular weight of 184.28 g/mol, XLogP of 2.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(methoxymethyl)hepta-1,6-diene is sourced from PubChem (CID 11074076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).