3-(methoxymethyl)hexa-1,2,5-triene

C8H12O — CID 11105363

IUPAC3-(methoxymethyl)hexa-1,2,5-triene
SMILESC=C=C(CC=C)COC
InChIInChI=1S/C8H12O/c1-4-6-8(5-2)7-9-3/h4H,1-2,6-7H2,3H3
InChIKeyIXMBGIULMAIQJW-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.92
Rot. Bonds4

About 3-(methoxymethyl)hexa-1,2,5-triene

3-(methoxymethyl)hexa-1,2,5-triene (PubChem CID 11105363) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 3-(methoxymethyl)hexa-1,2,5-triene.

Molecular Properties

Compound Name3-(methoxymethyl)hexa-1,2,5-triene
PubChem CID11105363
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name3-(methoxymethyl)hexa-1,2,5-triene
SMILESC=C=C(CC=C)COC
InChIInChI=1S/C8H12O/c1-4-6-8(5-2)7-9-3/h4H,1-2,6-7H2,3H3
InChIKeyIXMBGIULMAIQJW-UHFFFAOYSA-N
XLogP1.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Pentene, 5-(2-propenyloxy)-
CID 11194338
3-Methylene-4h-pyran
CID 56637807
2-(Methoxymethyl)-1-butene
CID 64666823
7-Methoxyhepta-1,4,5-triene
CID 11040698
3-(2-Methylprop-2-enoxy)but-1-ene
CID 12749706
3-But-3-enoxy-2-methylprop-1-ene
CID 13978844
(E)-1-(2-methylprop-2-enoxy)but-1-ene
CID 20074426
(1E)-3-methyl-1-(2-methylprop-2-enoxy)buta-1,3-diene
CID 21515680
1-(2-Methylprop-2-enoxy)but-1-ene
CID 57093238
3-Methyl-1-[(prop-2-en-1-yl)oxy]buta-1,3-diene
CID 71404709
3-Methyl-1-[(2-methylprop-2-en-1-yl)oxy]buta-1,3-diene
CID 71404710
3-Methoxyhepta-1,6-diene
CID 87414233

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)hexa-1,2,5-triene?
The IUPAC name of 3-(methoxymethyl)hexa-1,2,5-triene (CID 11105363) is 3-(methoxymethyl)hexa-1,2,5-triene.
What is the SMILES notation for 3-(methoxymethyl)hexa-1,2,5-triene?
The canonical SMILES for 3-(methoxymethyl)hexa-1,2,5-triene is C=C=C(CC=C)COC.
What is the InChIKey of 3-(methoxymethyl)hexa-1,2,5-triene?
The InChIKey is IXMBGIULMAIQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-4-6-8(5-2)7-9-3/h4H,1-2,6-7H2,3H3.
What are the key properties of 3-(methoxymethyl)hexa-1,2,5-triene?
3-(methoxymethyl)hexa-1,2,5-triene has a molecular weight of 124.18 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)hexa-1,2,5-triene is sourced from PubChem (CID 11105363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).