5,5-bis(methoxymethyl)-2,7-dimethyloct-2-ene

C14H28O2 — CID 19985322

IUPAC5,5-bis(methoxymethyl)-2,7-dimethyloct-2-ene
SMILESCOCC(CC=C(C)C)(COC)CC(C)C
InChIInChI=1S/C14H28O2/c1-12(2)7-8-14(10-15-5,11-16-6)9-13(3)4/h7,13H,8-11H2,1-6H3
InChIKeySTQGBLXWAUVWBU-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.67
Rot. Bonds8

About 5,5-bis(methoxymethyl)-2,7-dimethyloct-2-ene

5,5-bis(methoxymethyl)-2,7-dimethyloct-2-ene (PubChem CID 19985322) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 5,5-bis(methoxymethyl)-2,7-dimethyloct-2-ene.

Molecular Properties

Compound Name5,5-bis(methoxymethyl)-2,7-dimethyloct-2-ene
PubChem CID19985322
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name5,5-bis(methoxymethyl)-2,7-dimethyloct-2-ene
SMILESCOCC(CC=C(C)C)(COC)CC(C)C
InChIInChI=1S/C14H28O2/c1-12(2)7-8-14(10-15-5,11-16-6)9-13(3)4/h7,13H,8-11H2,1-6H3
InChIKeySTQGBLXWAUVWBU-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.67
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)-2,7-dimethyloct-2-ene?
The IUPAC name of 5,5-bis(methoxymethyl)-2,7-dimethyloct-2-ene (CID 19985322) is 5,5-bis(methoxymethyl)-2,7-dimethyloct-2-ene.
What is the SMILES notation for 5,5-bis(methoxymethyl)-2,7-dimethyloct-2-ene?
The canonical SMILES for 5,5-bis(methoxymethyl)-2,7-dimethyloct-2-ene is COCC(CC=C(C)C)(COC)CC(C)C.
What is the InChIKey of 5,5-bis(methoxymethyl)-2,7-dimethyloct-2-ene?
The InChIKey is STQGBLXWAUVWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-12(2)7-8-14(10-15-5,11-16-6)9-13(3)4/h7,13H,8-11H2,1-6H3.
What are the key properties of 5,5-bis(methoxymethyl)-2,7-dimethyloct-2-ene?
5,5-bis(methoxymethyl)-2,7-dimethyloct-2-ene has a molecular weight of 228.38 g/mol, XLogP of 3.67, 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)-2,7-dimethyloct-2-ene is sourced from PubChem (CID 19985322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).