5,5-bis(methoxymethyl)-2,8-dimethylnona-2,7-diene

C15H28O2 — CID 19985381

IUPAC5,5-bis(methoxymethyl)-2,8-dimethylnona-2,7-diene
SMILESCOCC(CC=C(C)C)(CC=C(C)C)COC
InChIInChI=1S/C15H28O2/c1-13(2)7-9-15(11-16-5,12-17-6)10-8-14(3)4/h7-8H,9-12H2,1-6H3
InChIKeyNJEVJPSOYOYHLH-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.98
Rot. Bonds8

About 5,5-bis(methoxymethyl)-2,8-dimethylnona-2,7-diene

5,5-bis(methoxymethyl)-2,8-dimethylnona-2,7-diene (PubChem CID 19985381) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 5,5-bis(methoxymethyl)-2,8-dimethylnona-2,7-diene.

Molecular Properties

Compound Name5,5-bis(methoxymethyl)-2,8-dimethylnona-2,7-diene
PubChem CID19985381
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name5,5-bis(methoxymethyl)-2,8-dimethylnona-2,7-diene
SMILESCOCC(CC=C(C)C)(CC=C(C)C)COC
InChIInChI=1S/C15H28O2/c1-13(2)7-9-15(11-16-5,12-17-6)10-8-14(3)4/h7-8H,9-12H2,1-6H3
InChIKeyNJEVJPSOYOYHLH-UHFFFAOYSA-N
XLogP3.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.98
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 5,5-bis(methoxymethyl)-2,8-dimethylnona-2,7-diene?
The IUPAC name of 5,5-bis(methoxymethyl)-2,8-dimethylnona-2,7-diene (CID 19985381) is 5,5-bis(methoxymethyl)-2,8-dimethylnona-2,7-diene.
What is the SMILES notation for 5,5-bis(methoxymethyl)-2,8-dimethylnona-2,7-diene?
The canonical SMILES for 5,5-bis(methoxymethyl)-2,8-dimethylnona-2,7-diene is COCC(CC=C(C)C)(CC=C(C)C)COC.
What is the InChIKey of 5,5-bis(methoxymethyl)-2,8-dimethylnona-2,7-diene?
The InChIKey is NJEVJPSOYOYHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-13(2)7-9-15(11-16-5,12-17-6)10-8-14(3)4/h7-8H,9-12H2,1-6H3.
What are the key properties of 5,5-bis(methoxymethyl)-2,8-dimethylnona-2,7-diene?
5,5-bis(methoxymethyl)-2,8-dimethylnona-2,7-diene has a molecular weight of 240.39 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(methoxymethyl)-2,8-dimethylnona-2,7-diene is sourced from PubChem (CID 19985381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).