5,5-bis(methoxymethyl)-7-methylocta-1,2,7-triene

C13H22O2 — CID 135079904

IUPAC5,5-bis(methoxymethyl)-7-methylocta-1,2,7-triene
SMILESC=C=CCC(COC)(COC)CC(=C)C
InChIInChI=1S/C13H22O2/c1-6-7-8-13(10-14-4,11-15-5)9-12(2)3/h7H,1-2,8-11H2,3-5H3
InChIKeyPHWPDVHOMXJEGI-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.96
Rot. Bonds8

About 5,5-bis(methoxymethyl)-7-methylocta-1,2,7-triene

5,5-bis(methoxymethyl)-7-methylocta-1,2,7-triene (PubChem CID 135079904) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 5,5-bis(methoxymethyl)-7-methylocta-1,2,7-triene.

Molecular Properties

Compound Name5,5-bis(methoxymethyl)-7-methylocta-1,2,7-triene
PubChem CID135079904
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name5,5-bis(methoxymethyl)-7-methylocta-1,2,7-triene
SMILESC=C=CCC(COC)(COC)CC(=C)C
InChIInChI=1S/C13H22O2/c1-6-7-8-13(10-14-4,11-15-5)9-12(2)3/h7H,1-2,8-11H2,3-5H3
InChIKeyPHWPDVHOMXJEGI-UHFFFAOYSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,4-Bis(methoxymethyl)-1,6-heptadiene
CID 11074076
4,4-Bis(ethoxymethyl)-1,6-heptadiene
CID 102449668
4,4-Bis(methoxymethyl)-5-methylhex-1-ene
CID 138966360
2-(Fluoromethyl)-4-(methoxymethyl)-4-methylhex-1-ene
CID 144407134
2-(2-Methylprop-2-enyl)-2-prop-2-enylpropane-1,3-diol
CID 14763745
2-Ethyl-2-(2-methylprop-2-enyl)propane-1,3-diol
CID 18398645
5,5-Bis(methoxymethyl)-2,7-dimethyloct-2-ene
CID 19985322
(E)-6,6-bis(methoxymethyl)-3,8-dimethylnon-3-ene
CID 19985347
5,5-Bis(methoxymethyl)-2,8-dimethylnona-2,7-diene
CID 19985381
5,5-Bis(methoxymethyl)-3,7-dimethyloct-2-ene
CID 53739793
4,4-Bis(methoxymethyl)-3,6-dimethylhept-2-ene
CID 54242012
6,6-Bis(methoxymethyl)-3,8-dimethylnon-3-ene
CID 54314019

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(methoxymethyl)-7-methylocta-1,2,7-triene?
The IUPAC name of 5,5-bis(methoxymethyl)-7-methylocta-1,2,7-triene (CID 135079904) is 5,5-bis(methoxymethyl)-7-methylocta-1,2,7-triene.
What is the SMILES notation for 5,5-bis(methoxymethyl)-7-methylocta-1,2,7-triene?
The canonical SMILES for 5,5-bis(methoxymethyl)-7-methylocta-1,2,7-triene is C=C=CCC(COC)(COC)CC(=C)C.
What is the InChIKey of 5,5-bis(methoxymethyl)-7-methylocta-1,2,7-triene?
The InChIKey is PHWPDVHOMXJEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-6-7-8-13(10-14-4,11-15-5)9-12(2)3/h7H,1-2,8-11H2,3-5H3.
What are the key properties of 5,5-bis(methoxymethyl)-7-methylocta-1,2,7-triene?
5,5-bis(methoxymethyl)-7-methylocta-1,2,7-triene has a molecular weight of 210.32 g/mol, XLogP of 2.96, 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)-7-methylocta-1,2,7-triene is sourced from PubChem (CID 135079904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).